4,6-dimethoxy-2-propan-2-ylpyrimidine;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;2-propan-2-ylpyridine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;1-(4-propan-2-ylpyrimidin-2-yl)oxybutan-2-ol

C128H217N25O8 — CID 157403950

IUPAC4,6-dimethoxy-2-propan-2-ylpyrimidine;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;2-propan-2-ylpyridine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;1-(4-propan-2-ylpyrimidin-2-yl)oxybutan-2-ol
SMILESC.C.C.C.C.C.CC(C)c1ccccn1.CC(C)c1ccnc(CN2CCCCC2)n1.CC(C)c1ccnn1C.CC(C)c1cn(C)cn1.CC(C)c1cncc(CN2CCCCC2)n1.CC(C)c1cnccn1.CC(C)c1ncccn1.CC(C)c1nccn1C.CCC(O)COc1cccc(C(C)C)n1.CCC(O)COc1cncc(C(C)C)n1.CCC(O)COc1nccc(C(C)C)n1.COc1cc(OC)nc(C(C)C)n1.Cc1cc(C)nc(C(C)C)c1
InChIInChI=1S/2C13H21N3.C12H19NO2.2C11H18N2O2.C10H15N.C9H14N2O2.C8H11N.3C7H12N2.2C7H10N2.6CH4/c1-11(2)12-6-7-14-13(15-12)10-16-8-4-3-5-9-16;1-11(2)13-9-14-8-12(15-13)10-16-6-4-3-5-7-16;1-4-10(14)8-15-12-7-5-6-11(13-12)9(2)3;1-4-9(14)7-15-11-6-12-5-10(13-11)8(2)3;1-4-9(14)7-15-11-12-6-5-10(13-11)8(2)3;1-7(2)10-6-8(3)5-9(4)11-10;1-6(2)9-10-7(12-3)5-8(11-9)13-4;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-9(3)5-8-7;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-5-8-9(7)3;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;;;;;;/h6-7,11H,3-5,8-10H2,1-2H3;8-9,11H,3-7,10H2,1-2H3;5-7,9-10,14H,4,8H2,1-3H3;2*5-6,8-9,14H,4,7H2,1-3H3;5-7H,1-4H3;5-6H,1-4H3;3-7H,1-2H3;3*4-6H,1-3H3;2*3-6H,1-2H3;6*1H4
InChIKeyBNMNAMZKQWHKLM-UHFFFAOYSA-N
MW2234.31 g/mol
LogP29.32
Rot. Bonds31

About 4,6-dimethoxy-2-propan-2-ylpyrimidine;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;2-propan-2-ylpyridine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;1-(4-propan-2-ylpyrimidin-2-yl)oxybutan-2-ol

4,6-dimethoxy-2-propan-2-ylpyrimidine;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;2-propan-2-ylpyridine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;1-(4-propan-2-ylpyrimidin-2-yl)oxybutan-2-ol (PubChem CID 157403950) has the molecular formula C128H217N25O8 and a molecular weight of 2234.31 g/mol. Its IUPAC name is 4,6-dimethoxy-2-propan-2-ylpyrimidine;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;2-propan-2-ylpyridine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;1-(4-propan-2-ylpyrimidin-2-yl)oxybutan-2-ol.

Molecular Properties

Compound Name4,6-dimethoxy-2-propan-2-ylpyrimidine;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;2-propan-2-ylpyridine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;1-(4-propan-2-ylpyrimidin-2-yl)oxybutan-2-ol
PubChem CID157403950
Molecular FormulaC128H217N25O8
Molecular Weight2234.31 g/mol
Exact Mass2232.73
IUPAC Name4,6-dimethoxy-2-propan-2-ylpyrimidine;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;2-propan-2-ylpyridine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;1-(4-propan-2-ylpyrimidin-2-yl)oxybutan-2-ol
SMILESC.C.C.C.C.C.CC(C)c1ccccn1.CC(C)c1ccnc(CN2CCCCC2)n1.CC(C)c1ccnn1C.CC(C)c1cn(C)cn1.CC(C)c1cncc(CN2CCCCC2)n1.CC(C)c1cnccn1.CC(C)c1ncccn1.CC(C)c1nccn1C.CCC(O)COc1cccc(C(C)C)n1.CCC(O)COc1cncc(C(C)C)n1.CCC(O)COc1nccc(C(C)C)n1.COc1cc(OC)nc(C(C)C)n1.Cc1cc(C)nc(C(C)C)c1
InChIInChI=1S/2C13H21N3.C12H19NO2.2C11H18N2O2.C10H15N.C9H14N2O2.C8H11N.3C7H12N2.2C7H10N2.6CH4/c1-11(2)12-6-7-14-13(15-12)10-16-8-4-3-5-9-16;1-11(2)13-9-14-8-12(15-13)10-16-6-4-3-5-7-16;1-4-10(14)8-15-12-7-5-6-11(13-12)9(2)3;1-4-9(14)7-15-11-6-12-5-10(13-11)8(2)3;1-4-9(14)7-15-11-12-6-5-10(13-11)8(2)3;1-7(2)10-6-8(3)5-9(4)11-10;1-6(2)9-10-7(12-3)5-8(11-9)13-4;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-9(3)5-8-7;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-5-8-9(7)3;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;;;;;;/h6-7,11H,3-5,8-10H2,1-2H3;8-9,11H,3-7,10H2,1-2H3;5-7,9-10,14H,4,8H2,1-3H3;2*5-6,8-9,14H,4,7H2,1-3H3;5-7H,1-4H3;5-6H,1-4H3;3-7H,1-2H3;3*4-6H,1-3H3;2*3-6H,1-2H3;6*1H4
InChIKeyBNMNAMZKQWHKLM-UHFFFAOYSA-N
XLogP29.32
TPSA385.91 Ų
H-Bond Donors3
H-Bond Acceptors33
Rotatable Bonds31
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002234.31
LogP ≤ 529.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1033

Analyze 4,6-dimethoxy-2-propan-2-ylpyrimidine;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;2-propan-2-ylpyridine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;1-(4-propan-2-ylpyrimidin-2-yl)oxybutan-2-ol 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-022
CID 163273430
7-[5-[(6-Ethyl-8-morpholin-4-yl-1,5-naphthyridin-3-yl)oxymethyl]-3-pyridinyl]-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 156304073
(2R,3R,4S,5R)-2-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-[[6-ethyl-8-(2-methoxyethylamino)-1,5-naphthyridin-3-yl]oxymethyl]oxolane-3,4-diol
CID 164570051
WO2022090481, Example I-025
CID 163273347
WO2022090481, Example I-024
CID 163273392
WO2022090481, Example I-175
CID 163273545
WO2022090481, Example I-028
CID 163273546
WO2022090481, Example I-027
CID 163273563
WO2022090481, Example I-041
CID 163273668
WO2022090481, Example I-026
CID 163273683
WO2022090481, Example I-209
CID 163273780
WO2022090481, Example I-052
CID 164514180

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-2-propan-2-ylpyrimidine;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;2-propan-2-ylpyridine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;1-(4-propan-2-ylpyrimidin-2-yl)oxybutan-2-ol?
The IUPAC name of 4,6-dimethoxy-2-propan-2-ylpyrimidine;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;2-propan-2-ylpyridine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;1-(4-propan-2-ylpyrimidin-2-yl)oxybutan-2-ol (CID 157403950) is 4,6-dimethoxy-2-propan-2-ylpyrimidine;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;2-propan-2-ylpyridine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;1-(4-propan-2-ylpyrimidin-2-yl)oxybutan-2-ol.
What is the SMILES notation for 4,6-dimethoxy-2-propan-2-ylpyrimidine;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;2-propan-2-ylpyridine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;1-(4-propan-2-ylpyrimidin-2-yl)oxybutan-2-ol?
The canonical SMILES for 4,6-dimethoxy-2-propan-2-ylpyrimidine;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;2-propan-2-ylpyridine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;1-(4-propan-2-ylpyrimidin-2-yl)oxybutan-2-ol is C.C.C.C.C.C.CC(C)c1ccccn1.CC(C)c1ccnc(CN2CCCCC2)n1.CC(C)c1ccnn1C.CC(C)c1cn(C)cn1.CC(C)c1cncc(CN2CCCCC2)n1.CC(C)c1cnccn1.CC(C)c1ncccn1.CC(C)c1nccn1C.CCC(O)COc1cccc(C(C)C)n1.CCC(O)COc1cncc(C(C)C)n1.CCC(O)COc1nccc(C(C)C)n1.COc1cc(OC)nc(C(C)C)n1.Cc1cc(C)nc(C(C)C)c1.
What is the InChIKey of 4,6-dimethoxy-2-propan-2-ylpyrimidine;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;2-propan-2-ylpyridine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;1-(4-propan-2-ylpyrimidin-2-yl)oxybutan-2-ol?
The InChIKey is BNMNAMZKQWHKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H21N3.C12H19NO2.2C11H18N2O2.C10H15N.C9H14N2O2.C8H11N.3C7H12N2.2C7H10N2.6CH4/c1-11(2)12-6-7-14-13(15-12)10-16-8-4-3-5-9-16;1-11(2)13-9-14-8-12(15-13)10-16-6-4-3-5-7-16;1-4-10(14)8-15-12-7-5-6-11(13-12)9(2)3;1-4-9(14)7-15-11-6-12-5-10(13-11)8(2)3;1-4-9(14)7-15-11-12-6-5-10(13-11)8(2)3;1-7(2)10-6-8(3)5-9(4)11-10;1-6(2)9-10-7(12-3)5-8(11-9)13-4;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-9(3)5-8-7;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-5-8-9(7)3;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;;;;;;/h6-7,11H,3-5,8-10H2,1-2H3;8-9,11H,3-7,10H2,1-2H3;5-7,9-10,14H,4,8H2,1-3H3;2*5-6,8-9,14H,4,7H2,1-3H3;5-7H,1-4H3;5-6H,1-4H3;3-7H,1-2H3;3*4-6H,1-3H3;2*3-6H,1-2H3;6*1H4.
What are the key properties of 4,6-dimethoxy-2-propan-2-ylpyrimidine;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;2-propan-2-ylpyridine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;1-(4-propan-2-ylpyrimidin-2-yl)oxybutan-2-ol?
4,6-dimethoxy-2-propan-2-ylpyrimidine;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;2-propan-2-ylpyridine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;1-(4-propan-2-ylpyrimidin-2-yl)oxybutan-2-ol has a molecular weight of 2234.31 g/mol, XLogP of 29.32, 31 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-2-propan-2-ylpyrimidine;2,4-dimethyl-6-propan-2-ylpyridine;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyrazine;2-(piperidin-1-ylmethyl)-4-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;2-propan-2-ylpyridine;1-[(6-propan-2-yl-2-pyridinyl)oxy]butan-2-ol;2-propan-2-ylpyrimidine;1-(4-propan-2-ylpyrimidin-2-yl)oxybutan-2-ol is sourced from PubChem (CID 157403950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).