3-(2-cyclopropyloxy-5-propan-2-ylphenyl)pyridine;2-methoxy-4-propan-2-ylpyrimidine;2-methyl-4-propan-2-ylfuran;2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyrimidine

C83H109F9N12O5 — CID 159908275

IUPAC3-(2-cyclopropyloxy-5-propan-2-ylphenyl)pyridine;2-methoxy-4-propan-2-ylpyrimidine;2-methyl-4-propan-2-ylfuran;2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyrimidine
SMILESCC(C)c1ccc(OC2CC2)c(-c2cccnc2)c1.CC(C)c1ccnc(C(F)(F)F)c1.CC(C)c1ccnc(C(F)(F)F)n1.CC(C)c1ccnc(OC(F)(F)F)c1.CC(C)c1cnc(CO)nc1.COc1nccc(C(C)C)n1.Cc1cc(C(C)C)c[nH]1.Cc1cc(C(C)C)co1.Cc1ncc(C(C)C)cn1
InChIInChI=1S/C17H19NO.C9H10F3NO.C9H10F3N.C8H9F3N2.2C8H12N2O.C8H12N2.C8H13N.C8H12O/c1-12(2)13-5-8-17(19-15-6-7-15)16(10-13)14-4-3-9-18-11-14;1-6(2)7-3-4-13-8(5-7)14-9(10,11)12;1-6(2)7-3-4-13-8(5-7)9(10,11)12;1-5(2)6-3-4-12-7(13-6)8(9,10)11;1-6(2)7-3-9-8(5-11)10-4-7;1-6(2)7-4-5-9-8(10-7)11-3;1-6(2)8-4-9-7(3)10-5-8;2*1-6(2)8-4-7(3)9-5-8/h3-5,8-12,15H,6-7H2,1-2H3;3-6H,1-2H3;3-6H,1-2H3;3-5H,1-2H3;3-4,6,11H,5H2,1-2H3;4-6H,1-3H3;4-6H,1-3H3;4-6,9H,1-3H3;4-6H,1-3H3
InChIKeyNWVUVGDMWGJXDN-UHFFFAOYSA-N
MW1525.85 g/mol
LogP23.13
Rot. Bonds15

About 3-(2-cyclopropyloxy-5-propan-2-ylphenyl)pyridine;2-methoxy-4-propan-2-ylpyrimidine;2-methyl-4-propan-2-ylfuran;2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyrimidine

3-(2-cyclopropyloxy-5-propan-2-ylphenyl)pyridine;2-methoxy-4-propan-2-ylpyrimidine;2-methyl-4-propan-2-ylfuran;2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyrimidine (PubChem CID 159908275) has the molecular formula C83H109F9N12O5 and a molecular weight of 1525.85 g/mol. Its IUPAC name is 3-(2-cyclopropyloxy-5-propan-2-ylphenyl)pyridine;2-methoxy-4-propan-2-ylpyrimidine;2-methyl-4-propan-2-ylfuran;2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name3-(2-cyclopropyloxy-5-propan-2-ylphenyl)pyridine;2-methoxy-4-propan-2-ylpyrimidine;2-methyl-4-propan-2-ylfuran;2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyrimidine
PubChem CID159908275
Molecular FormulaC83H109F9N12O5
Molecular Weight1525.85 g/mol
Exact Mass1524.85
IUPAC Name3-(2-cyclopropyloxy-5-propan-2-ylphenyl)pyridine;2-methoxy-4-propan-2-ylpyrimidine;2-methyl-4-propan-2-ylfuran;2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyrimidine
SMILESCC(C)c1ccc(OC2CC2)c(-c2cccnc2)c1.CC(C)c1ccnc(C(F)(F)F)c1.CC(C)c1ccnc(C(F)(F)F)n1.CC(C)c1ccnc(OC(F)(F)F)c1.CC(C)c1cnc(CO)nc1.COc1nccc(C(C)C)n1.Cc1cc(C(C)C)c[nH]1.Cc1cc(C(C)C)co1.Cc1ncc(C(C)C)cn1
InChIInChI=1S/C17H19NO.C9H10F3NO.C9H10F3N.C8H9F3N2.2C8H12N2O.C8H12N2.C8H13N.C8H12O/c1-12(2)13-5-8-17(19-15-6-7-15)16(10-13)14-4-3-9-18-11-14;1-6(2)7-3-4-13-8(5-7)14-9(10,11)12;1-6(2)7-3-4-13-8(5-7)9(10,11)12;1-5(2)6-3-4-12-7(13-6)8(9,10)11;1-6(2)7-3-9-8(5-11)10-4-7;1-6(2)7-4-5-9-8(10-7)11-3;1-6(2)8-4-9-7(3)10-5-8;2*1-6(2)8-4-7(3)9-5-8/h3-5,8-12,15H,6-7H2,1-2H3;3-6H,1-2H3;3-6H,1-2H3;3-5H,1-2H3;3-4,6,11H,5H2,1-2H3;4-6H,1-3H3;4-6H,1-3H3;4-6,9H,1-3H3;4-6H,1-3H3
InChIKeyNWVUVGDMWGJXDN-UHFFFAOYSA-N
XLogP23.13
TPSA218.64 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001525.85
LogP ≤ 523.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze 3-(2-cyclopropyloxy-5-propan-2-ylphenyl)pyridine;2-methoxy-4-propan-2-ylpyrimidine;2-methyl-4-propan-2-ylfuran;2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyrimidine with MolForge

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Related Compounds

1-[5-[5-[(1S)-1-[[2-methyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidin-4-yl]amino]ethyl]-3-pyridinyl]pyrimidin-2-yl]piperidin-4-ol
CID 127024590
[1-[5-[3-[(1S)-1-[[2-methyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidin-4-yl]amino]ethyl]phenyl]pyrimidin-2-yl]piperidin-4-yl]methanol
CID 127024794
2-[4-[5-[3-[(1S)-1-[[2-methyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidin-4-yl]amino]ethyl]phenyl]pyrimidin-2-yl]piperazin-1-yl]ethanol
CID 127035045
1-[5-[3-[(1S)-1-[[2-methyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-pyridinyl]piperidin-4-ol
CID 127035203
N-[2-[2-[6-(2-fluoro-4-pyridinyl)-4-[6-[[3-(2-methoxyphenyl)-2-methylbutyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1-benzofuran-7-yl]ethyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine
CID 123216835
N-[2-[2-[6-(2-fluoro-4-pyridinyl)-4-[6-[[(2S)-3-(2-methoxyphenyl)-2-methylbutyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1-benzofuran-7-yl]ethyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine
CID 135217350
1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylfuran;bis(2-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine
CID 157413497
2-methyl-N-[1-[3-[6-(methylamino)-3-pyridinyl]phenyl]ethyl]-6-[3-methyl-7-[3-methyl-5-[2-methyl-6-[1-[3-(6-morpholin-4-yl-3-pyridinyl)phenyl]ethylamino]pyrimidin-4-yl]-1-benzofuran-7-yl]-1-benzofuran-5-yl]pyrimidin-4-amine
CID 123365625
[1-[5-[3-[1-[[2-Methyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidin-4-yl]amino]ethyl]phenyl]pyrimidin-2-yl]piperidin-4-yl]methanol
CID 123384056
1-[5-[3-[1-[[2-Methyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-pyridinyl]piperidin-4-ol
CID 123710622
1-[5-[5-[1-[[2-Methyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidin-4-yl]amino]ethyl]-3-pyridinyl]pyrimidin-2-yl]piperidin-4-ol
CID 123849000
2-[4-[5-[3-[1-[[2-Methyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidin-4-yl]amino]ethyl]phenyl]pyrimidin-2-yl]piperazin-1-yl]ethanol
CID 123984840

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropyloxy-5-propan-2-ylphenyl)pyridine;2-methoxy-4-propan-2-ylpyrimidine;2-methyl-4-propan-2-ylfuran;2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 3-(2-cyclopropyloxy-5-propan-2-ylphenyl)pyridine;2-methoxy-4-propan-2-ylpyrimidine;2-methyl-4-propan-2-ylfuran;2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyrimidine (CID 159908275) is 3-(2-cyclopropyloxy-5-propan-2-ylphenyl)pyridine;2-methoxy-4-propan-2-ylpyrimidine;2-methyl-4-propan-2-ylfuran;2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 3-(2-cyclopropyloxy-5-propan-2-ylphenyl)pyridine;2-methoxy-4-propan-2-ylpyrimidine;2-methyl-4-propan-2-ylfuran;2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 3-(2-cyclopropyloxy-5-propan-2-ylphenyl)pyridine;2-methoxy-4-propan-2-ylpyrimidine;2-methyl-4-propan-2-ylfuran;2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyrimidine is CC(C)c1ccc(OC2CC2)c(-c2cccnc2)c1.CC(C)c1ccnc(C(F)(F)F)c1.CC(C)c1ccnc(C(F)(F)F)n1.CC(C)c1ccnc(OC(F)(F)F)c1.CC(C)c1cnc(CO)nc1.COc1nccc(C(C)C)n1.Cc1cc(C(C)C)c[nH]1.Cc1cc(C(C)C)co1.Cc1ncc(C(C)C)cn1.
What is the InChIKey of 3-(2-cyclopropyloxy-5-propan-2-ylphenyl)pyridine;2-methoxy-4-propan-2-ylpyrimidine;2-methyl-4-propan-2-ylfuran;2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The InChIKey is NWVUVGDMWGJXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO.C9H10F3NO.C9H10F3N.C8H9F3N2.2C8H12N2O.C8H12N2.C8H13N.C8H12O/c1-12(2)13-5-8-17(19-15-6-7-15)16(10-13)14-4-3-9-18-11-14;1-6(2)7-3-4-13-8(5-7)14-9(10,11)12;1-6(2)7-3-4-13-8(5-7)9(10,11)12;1-5(2)6-3-4-12-7(13-6)8(9,10)11;1-6(2)7-3-9-8(5-11)10-4-7;1-6(2)7-4-5-9-8(10-7)11-3;1-6(2)8-4-9-7(3)10-5-8;2*1-6(2)8-4-7(3)9-5-8/h3-5,8-12,15H,6-7H2,1-2H3;3-6H,1-2H3;3-6H,1-2H3;3-5H,1-2H3;3-4,6,11H,5H2,1-2H3;4-6H,1-3H3;4-6H,1-3H3;4-6,9H,1-3H3;4-6H,1-3H3.
What are the key properties of 3-(2-cyclopropyloxy-5-propan-2-ylphenyl)pyridine;2-methoxy-4-propan-2-ylpyrimidine;2-methyl-4-propan-2-ylfuran;2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyrimidine?
3-(2-cyclopropyloxy-5-propan-2-ylphenyl)pyridine;2-methoxy-4-propan-2-ylpyrimidine;2-methyl-4-propan-2-ylfuran;2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyrimidine has a molecular weight of 1525.85 g/mol, XLogP of 23.13, 15 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropyloxy-5-propan-2-ylphenyl)pyridine;2-methoxy-4-propan-2-ylpyrimidine;2-methyl-4-propan-2-ylfuran;2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 159908275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).