bis(2-tert-butyl-4-methoxypyrimidine);2-tert-butyl-5-methylpyrazine;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine;3-tert-butylpyridazine;2-tert-butylpyrimidine;4-(2-tert-butylpyrimidin-4-yl)morpholine;4-(5-tert-butylpyrimidin-2-yl)morpholine;4-(1,1-difluoroethyl)-2-propan-2-ylpyrimidine;methane;4-methoxy-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyrimidine;2-methyl-3-propan-2-ylpyrazine

C124H191F5N26O7 — CID 159972216

IUPACbis(2-tert-butyl-4-methoxypyrimidine);2-tert-butyl-5-methylpyrazine;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine;3-tert-butylpyridazine;2-tert-butylpyrimidine;4-(2-tert-butylpyrimidin-4-yl)morpholine;4-(5-tert-butylpyrimidin-2-yl)morpholine;4-(1,1-difluoroethyl)-2-propan-2-ylpyrimidine;methane;4-methoxy-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyrimidine;2-methyl-3-propan-2-ylpyrazine
SMILESC.C.CC(C)(C)c1cccnn1.CC(C)(C)c1cnc(N2CCOCC2)nc1.CC(C)(C)c1nccc(N2CCOCC2)n1.CC(C)(C)c1ncccn1.CC(C)c1nccc(C(C)(F)F)n1.COc1ccnc(C(C)(C)C)n1.COc1ccnc(C(C)(C)C)n1.COc1ccnc(C(C)C)c1.COc1ccnc(C(C)C)n1.Cc1c(OCC(F)(F)F)ccnc1C(C)(C)C.Cc1ccnc(C(C)(C)C)n1.Cc1cnc(C(C)(C)C)cn1.Cc1nccnc1C(C)C
InChIInChI=1S/C12H16F3NO.2C12H19N3O.C9H12F2N2.2C9H14N2O.2C9H14N2.C9H13NO.C8H12N2O.3C8H12N2.2CH4/c1-8-9(17-7-12(13,14)15)5-6-16-10(8)11(2,3)4;1-12(2,3)10-8-13-11(14-9-10)15-4-6-16-7-5-15;1-12(2,3)11-13-5-4-10(14-11)15-6-8-16-9-7-15;1-6(2)8-12-5-4-7(13-8)9(3,10)11;2*1-9(2,3)8-10-6-5-7(11-8)12-4;1-7-5-11-8(6-10-7)9(2,3)4;1-7-5-6-10-8(11-7)9(2,3)4;1-7(2)9-6-8(11-3)4-5-10-9;1-6(2)8-9-5-4-7(10-8)11-3;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7;1-6(2)8-7(3)9-4-5-10-8;;/h5-6H,7H2,1-4H3;8-9H,4-7H2,1-3H3;4-5H,6-9H2,1-3H3;4-6H,1-3H3;2*5-6H,1-4H3;2*5-6H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;3*4-6H,1-3H3;2*1H4
InChIKeyOERRALZWLMFLAM-UHFFFAOYSA-N
MW2253.06 g/mol
LogP27.84
Rot. Bonds13

About bis(2-tert-butyl-4-methoxypyrimidine);2-tert-butyl-5-methylpyrazine;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine;3-tert-butylpyridazine;2-tert-butylpyrimidine;4-(2-tert-butylpyrimidin-4-yl)morpholine;4-(5-tert-butylpyrimidin-2-yl)morpholine;4-(1,1-difluoroethyl)-2-propan-2-ylpyrimidine;methane;4-methoxy-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyrimidine;2-methyl-3-propan-2-ylpyrazine

bis(2-tert-butyl-4-methoxypyrimidine);2-tert-butyl-5-methylpyrazine;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine;3-tert-butylpyridazine;2-tert-butylpyrimidine;4-(2-tert-butylpyrimidin-4-yl)morpholine;4-(5-tert-butylpyrimidin-2-yl)morpholine;4-(1,1-difluoroethyl)-2-propan-2-ylpyrimidine;methane;4-methoxy-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyrimidine;2-methyl-3-propan-2-ylpyrazine (PubChem CID 159972216) has the molecular formula C124H191F5N26O7 and a molecular weight of 2253.06 g/mol. Its IUPAC name is bis(2-tert-butyl-4-methoxypyrimidine);2-tert-butyl-5-methylpyrazine;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine;3-tert-butylpyridazine;2-tert-butylpyrimidine;4-(2-tert-butylpyrimidin-4-yl)morpholine;4-(5-tert-butylpyrimidin-2-yl)morpholine;4-(1,1-difluoroethyl)-2-propan-2-ylpyrimidine;methane;4-methoxy-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyrimidine;2-methyl-3-propan-2-ylpyrazine.

Molecular Properties

Compound Namebis(2-tert-butyl-4-methoxypyrimidine);2-tert-butyl-5-methylpyrazine;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine;3-tert-butylpyridazine;2-tert-butylpyrimidine;4-(2-tert-butylpyrimidin-4-yl)morpholine;4-(5-tert-butylpyrimidin-2-yl)morpholine;4-(1,1-difluoroethyl)-2-propan-2-ylpyrimidine;methane;4-methoxy-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyrimidine;2-methyl-3-propan-2-ylpyrazine
PubChem CID159972216
Molecular FormulaC124H191F5N26O7
Molecular Weight2253.06 g/mol
Exact Mass2251.53
IUPAC Namebis(2-tert-butyl-4-methoxypyrimidine);2-tert-butyl-5-methylpyrazine;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine;3-tert-butylpyridazine;2-tert-butylpyrimidine;4-(2-tert-butylpyrimidin-4-yl)morpholine;4-(5-tert-butylpyrimidin-2-yl)morpholine;4-(1,1-difluoroethyl)-2-propan-2-ylpyrimidine;methane;4-methoxy-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyrimidine;2-methyl-3-propan-2-ylpyrazine
SMILESC.C.CC(C)(C)c1cccnn1.CC(C)(C)c1cnc(N2CCOCC2)nc1.CC(C)(C)c1nccc(N2CCOCC2)n1.CC(C)(C)c1ncccn1.CC(C)c1nccc(C(C)(F)F)n1.COc1ccnc(C(C)(C)C)n1.COc1ccnc(C(C)(C)C)n1.COc1ccnc(C(C)C)c1.COc1ccnc(C(C)C)n1.Cc1c(OCC(F)(F)F)ccnc1C(C)(C)C.Cc1ccnc(C(C)(C)C)n1.Cc1cnc(C(C)(C)C)cn1.Cc1nccnc1C(C)C
InChIInChI=1S/C12H16F3NO.2C12H19N3O.C9H12F2N2.2C9H14N2O.2C9H14N2.C9H13NO.C8H12N2O.3C8H12N2.2CH4/c1-8-9(17-7-12(13,14)15)5-6-16-10(8)11(2,3)4;1-12(2,3)10-8-13-11(14-9-10)15-4-6-16-7-5-15;1-12(2,3)11-13-5-4-10(14-11)15-6-8-16-9-7-15;1-6(2)8-12-5-4-7(13-8)9(3,10)11;2*1-9(2,3)8-10-6-5-7(11-8)12-4;1-7-5-11-8(6-10-7)9(2,3)4;1-7-5-6-10-8(11-7)9(2,3)4;1-7(2)9-6-8(11-3)4-5-10-9;1-6(2)8-9-5-4-7(10-8)11-3;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7;1-6(2)8-7(3)9-4-5-10-8;;/h5-6H,7H2,1-4H3;8-9H,4-7H2,1-3H3;4-5H,6-9H2,1-3H3;4-6H,1-3H3;2*5-6H,1-4H3;2*5-6H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;3*4-6H,1-3H3;2*1H4
InChIKeyOERRALZWLMFLAM-UHFFFAOYSA-N
XLogP27.84
TPSA380.45 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds13
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002253.06
LogP ≤ 527.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Analyze bis(2-tert-butyl-4-methoxypyrimidine);2-tert-butyl-5-methylpyrazine;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine;3-tert-butylpyridazine;2-tert-butylpyrimidine;4-(2-tert-butylpyrimidin-4-yl)morpholine;4-(5-tert-butylpyrimidin-2-yl)morpholine;4-(1,1-difluoroethyl)-2-propan-2-ylpyrimidine;methane;4-methoxy-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyrimidine;2-methyl-3-propan-2-ylpyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

WO2022090481, Example I-030
CID 164514170
WO2022090481, Example I-040
CID 164514175
Preparation of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-(((5-(1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl)pyridin-2-yl)methyl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine
CID 171760202
6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-N-[6-(1-methylpiperidin-4-yl)oxypyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 59507539
6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxypyridin-3-yl]pyrimidin-4-amine
CID 59507765
2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-morpholin-4-yl-4-N,6-N-dipyridin-4-ylpyrimidine-4,6-diamine
CID 86567957
2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-morpholin-4-yl-4-N,6-N-di(pyrimidin-4-yl)pyrimidine-4,6-diamine
CID 86567958
3-[6-[[[6-[3-(2,6-difluoro-3-methoxyanilino)pyrazin-2-yl]pyrimidin-4-yl]-[4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]pyrimidin-4-yl]-N-(2,6-difluoro-3-methoxyphenyl)pyrazin-2-amine
CID 87609086
6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[6-(1-butan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 89616878
2-[4-(4,6-Dimethylpyrimidin-2-yl)phenyl]-3,6-dimethyl-5-(4-pyrimidin-2-ylphenyl)pyrazine;5-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyridazine
CID 143918022
8-[(1S,2S)-2-[5-(2,2-difluoroethoxy)-2-pyridinyl]cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
CID 157032453
6-(2,4-dimethoxypyrimidin-5-yl)-8-[(1S,2S)-2-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157032903

Frequently Asked Questions

What is the IUPAC name of bis(2-tert-butyl-4-methoxypyrimidine);2-tert-butyl-5-methylpyrazine;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine;3-tert-butylpyridazine;2-tert-butylpyrimidine;4-(2-tert-butylpyrimidin-4-yl)morpholine;4-(5-tert-butylpyrimidin-2-yl)morpholine;4-(1,1-difluoroethyl)-2-propan-2-ylpyrimidine;methane;4-methoxy-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyrimidine;2-methyl-3-propan-2-ylpyrazine?
The IUPAC name of bis(2-tert-butyl-4-methoxypyrimidine);2-tert-butyl-5-methylpyrazine;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine;3-tert-butylpyridazine;2-tert-butylpyrimidine;4-(2-tert-butylpyrimidin-4-yl)morpholine;4-(5-tert-butylpyrimidin-2-yl)morpholine;4-(1,1-difluoroethyl)-2-propan-2-ylpyrimidine;methane;4-methoxy-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyrimidine;2-methyl-3-propan-2-ylpyrazine (CID 159972216) is bis(2-tert-butyl-4-methoxypyrimidine);2-tert-butyl-5-methylpyrazine;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine;3-tert-butylpyridazine;2-tert-butylpyrimidine;4-(2-tert-butylpyrimidin-4-yl)morpholine;4-(5-tert-butylpyrimidin-2-yl)morpholine;4-(1,1-difluoroethyl)-2-propan-2-ylpyrimidine;methane;4-methoxy-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyrimidine;2-methyl-3-propan-2-ylpyrazine.
What is the SMILES notation for bis(2-tert-butyl-4-methoxypyrimidine);2-tert-butyl-5-methylpyrazine;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine;3-tert-butylpyridazine;2-tert-butylpyrimidine;4-(2-tert-butylpyrimidin-4-yl)morpholine;4-(5-tert-butylpyrimidin-2-yl)morpholine;4-(1,1-difluoroethyl)-2-propan-2-ylpyrimidine;methane;4-methoxy-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyrimidine;2-methyl-3-propan-2-ylpyrazine?
The canonical SMILES for bis(2-tert-butyl-4-methoxypyrimidine);2-tert-butyl-5-methylpyrazine;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine;3-tert-butylpyridazine;2-tert-butylpyrimidine;4-(2-tert-butylpyrimidin-4-yl)morpholine;4-(5-tert-butylpyrimidin-2-yl)morpholine;4-(1,1-difluoroethyl)-2-propan-2-ylpyrimidine;methane;4-methoxy-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyrimidine;2-methyl-3-propan-2-ylpyrazine is C.C.CC(C)(C)c1cccnn1.CC(C)(C)c1cnc(N2CCOCC2)nc1.CC(C)(C)c1nccc(N2CCOCC2)n1.CC(C)(C)c1ncccn1.CC(C)c1nccc(C(C)(F)F)n1.COc1ccnc(C(C)(C)C)n1.COc1ccnc(C(C)(C)C)n1.COc1ccnc(C(C)C)c1.COc1ccnc(C(C)C)n1.Cc1c(OCC(F)(F)F)ccnc1C(C)(C)C.Cc1ccnc(C(C)(C)C)n1.Cc1cnc(C(C)(C)C)cn1.Cc1nccnc1C(C)C.
What is the InChIKey of bis(2-tert-butyl-4-methoxypyrimidine);2-tert-butyl-5-methylpyrazine;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine;3-tert-butylpyridazine;2-tert-butylpyrimidine;4-(2-tert-butylpyrimidin-4-yl)morpholine;4-(5-tert-butylpyrimidin-2-yl)morpholine;4-(1,1-difluoroethyl)-2-propan-2-ylpyrimidine;methane;4-methoxy-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyrimidine;2-methyl-3-propan-2-ylpyrazine?
The InChIKey is OERRALZWLMFLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO.2C12H19N3O.C9H12F2N2.2C9H14N2O.2C9H14N2.C9H13NO.C8H12N2O.3C8H12N2.2CH4/c1-8-9(17-7-12(13,14)15)5-6-16-10(8)11(2,3)4;1-12(2,3)10-8-13-11(14-9-10)15-4-6-16-7-5-15;1-12(2,3)11-13-5-4-10(14-11)15-6-8-16-9-7-15;1-6(2)8-12-5-4-7(13-8)9(3,10)11;2*1-9(2,3)8-10-6-5-7(11-8)12-4;1-7-5-11-8(6-10-7)9(2,3)4;1-7-5-6-10-8(11-7)9(2,3)4;1-7(2)9-6-8(11-3)4-5-10-9;1-6(2)8-9-5-4-7(10-8)11-3;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7;1-6(2)8-7(3)9-4-5-10-8;;/h5-6H,7H2,1-4H3;8-9H,4-7H2,1-3H3;4-5H,6-9H2,1-3H3;4-6H,1-3H3;2*5-6H,1-4H3;2*5-6H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;3*4-6H,1-3H3;2*1H4.
What are the key properties of bis(2-tert-butyl-4-methoxypyrimidine);2-tert-butyl-5-methylpyrazine;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine;3-tert-butylpyridazine;2-tert-butylpyrimidine;4-(2-tert-butylpyrimidin-4-yl)morpholine;4-(5-tert-butylpyrimidin-2-yl)morpholine;4-(1,1-difluoroethyl)-2-propan-2-ylpyrimidine;methane;4-methoxy-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyrimidine;2-methyl-3-propan-2-ylpyrazine?
bis(2-tert-butyl-4-methoxypyrimidine);2-tert-butyl-5-methylpyrazine;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine;3-tert-butylpyridazine;2-tert-butylpyrimidine;4-(2-tert-butylpyrimidin-4-yl)morpholine;4-(5-tert-butylpyrimidin-2-yl)morpholine;4-(1,1-difluoroethyl)-2-propan-2-ylpyrimidine;methane;4-methoxy-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyrimidine;2-methyl-3-propan-2-ylpyrazine has a molecular weight of 2253.06 g/mol, XLogP of 27.84, 13 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-tert-butyl-4-methoxypyrimidine);2-tert-butyl-5-methylpyrazine;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine;3-tert-butylpyridazine;2-tert-butylpyrimidine;4-(2-tert-butylpyrimidin-4-yl)morpholine;4-(5-tert-butylpyrimidin-2-yl)morpholine;4-(1,1-difluoroethyl)-2-propan-2-ylpyrimidine;methane;4-methoxy-2-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyrimidine;2-methyl-3-propan-2-ylpyrazine is sourced from PubChem (CID 159972216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).