6-[6-[(1-cyclopropylpiperidin-4-yl)amino]-3-pyridinyl]-N-[(2S)-2-(2-methoxyphenyl)-2-methylbutyl]pyrimidin-4-amine

C29H38N6O — CID 163540662

IUPAC6-[6-[(1-cyclopropylpiperidin-4-yl)amino]-3-pyridinyl]-N-[(2S)-2-(2-methoxyphenyl)-2-methylbutyl]pyrimidin-4-amine
SMILESCC[C@](C)(CNc1cc(-c2ccc(NC3CCN(C4CC4)CC3)nc2)ncn1)c1ccccc1OC
InChIInChI=1S/C29H38N6O/c1-4-29(2,24-7-5-6-8-26(24)36-3)19-31-28-17-25(32-20-33-28)21-9-12-27(30-18-21)34-22-13-15-35(16-14-22)23-10-11-23/h5-9,12,17-18,20,22-23H,4,10-11,13-16,19H2,1-3H3,(H,30,34)(H,31,32,33)/t29-/m1/s1
InChIKeyFAVKTKMLDKCREJ-GDLZYMKVSA-N
MW486.66 g/mol
LogP5.37
Rot. Bonds10

About 6-[6-[(1-cyclopropylpiperidin-4-yl)amino]-3-pyridinyl]-N-[(2S)-2-(2-methoxyphenyl)-2-methylbutyl]pyrimidin-4-amine

6-[6-[(1-cyclopropylpiperidin-4-yl)amino]-3-pyridinyl]-N-[(2S)-2-(2-methoxyphenyl)-2-methylbutyl]pyrimidin-4-amine (PubChem CID 163540662) has the molecular formula C29H38N6O and a molecular weight of 486.66 g/mol. Its IUPAC name is 6-[6-[(1-cyclopropylpiperidin-4-yl)amino]-3-pyridinyl]-N-[(2S)-2-(2-methoxyphenyl)-2-methylbutyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[6-[(1-cyclopropylpiperidin-4-yl)amino]-3-pyridinyl]-N-[(2S)-2-(2-methoxyphenyl)-2-methylbutyl]pyrimidin-4-amine
PubChem CID163540662
Molecular FormulaC29H38N6O
Molecular Weight486.66 g/mol
Exact Mass486.31
IUPAC Name6-[6-[(1-cyclopropylpiperidin-4-yl)amino]-3-pyridinyl]-N-[(2S)-2-(2-methoxyphenyl)-2-methylbutyl]pyrimidin-4-amine
SMILESCC[C@](C)(CNc1cc(-c2ccc(NC3CCN(C4CC4)CC3)nc2)ncn1)c1ccccc1OC
InChIInChI=1S/C29H38N6O/c1-4-29(2,24-7-5-6-8-26(24)36-3)19-31-28-17-25(32-20-33-28)21-9-12-27(30-18-21)34-22-13-15-35(16-14-22)23-10-11-23/h5-9,12,17-18,20,22-23H,4,10-11,13-16,19H2,1-3H3,(H,30,34)(H,31,32,33)/t29-/m1/s1
InChIKeyFAVKTKMLDKCREJ-GDLZYMKVSA-N
XLogP5.37
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.66
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[6-[(1-cyclopropylpiperidin-4-yl)amino]-3-pyridinyl]-N-[(2S)-2-(2-methoxyphenyl)-2-methylbutyl]pyrimidin-4-amine with MolForge

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Related Compounds

N-[2-(2-cyclopropyloxyphenyl)-2-methylbutyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine
CID 123451628
8-[(2R)-1-[[6-[2-[(1-acetylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]-2-methylbutan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide
CID 134289043
3-methoxy-N-methyl-4-[(2S)-1-[[6-[6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]benzamide;sulfane
CID 158126980
8-[1-[[6-(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-methylbutan-2-yl]-N-methylquinoline-4-carboxamide
CID 123371223
1-[[[5-[6-[[(3R)-3-(2-methoxyphenyl)-2-methylbutyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]methyl]cyclopropan-1-ol
CID 134289238
2-[[5-[6-[[3-(2-methoxyphenyl)-2-methylbutyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]acetonitrile
CID 123442941
3-fluoro-N-methyl-8-[(2S)-1-[[6-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane
CID 159564595
N-[2-(2-methoxyphenyl)propyl]-6-[6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-amine
CID 123421438
N-methyl-8-[(3S)-3-methyl-4-[[6-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrimidin-4-yl]amino]butan-2-yl]quinoline-4-carboxamide
CID 134289039
N-[2-(2-methoxyphenyl)ethyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine
CID 123763987
3-[[5-[6-[[3-(2-methoxyphenyl)-2-methylbutyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]propane-1,2-diol
CID 123446986
N-[2-(3-fluoroquinolin-8-yl)-2-methylbutyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine
CID 123686191

Frequently Asked Questions

What is the IUPAC name of 6-[6-[(1-cyclopropylpiperidin-4-yl)amino]-3-pyridinyl]-N-[(2S)-2-(2-methoxyphenyl)-2-methylbutyl]pyrimidin-4-amine?
The IUPAC name of 6-[6-[(1-cyclopropylpiperidin-4-yl)amino]-3-pyridinyl]-N-[(2S)-2-(2-methoxyphenyl)-2-methylbutyl]pyrimidin-4-amine (CID 163540662) is 6-[6-[(1-cyclopropylpiperidin-4-yl)amino]-3-pyridinyl]-N-[(2S)-2-(2-methoxyphenyl)-2-methylbutyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[6-[(1-cyclopropylpiperidin-4-yl)amino]-3-pyridinyl]-N-[(2S)-2-(2-methoxyphenyl)-2-methylbutyl]pyrimidin-4-amine?
The canonical SMILES for 6-[6-[(1-cyclopropylpiperidin-4-yl)amino]-3-pyridinyl]-N-[(2S)-2-(2-methoxyphenyl)-2-methylbutyl]pyrimidin-4-amine is CC[C@](C)(CNc1cc(-c2ccc(NC3CCN(C4CC4)CC3)nc2)ncn1)c1ccccc1OC.
What is the InChIKey of 6-[6-[(1-cyclopropylpiperidin-4-yl)amino]-3-pyridinyl]-N-[(2S)-2-(2-methoxyphenyl)-2-methylbutyl]pyrimidin-4-amine?
The InChIKey is FAVKTKMLDKCREJ-GDLZYMKVSA-N. The full InChI is InChI=1S/C29H38N6O/c1-4-29(2,24-7-5-6-8-26(24)36-3)19-31-28-17-25(32-20-33-28)21-9-12-27(30-18-21)34-22-13-15-35(16-14-22)23-10-11-23/h5-9,12,17-18,20,22-23H,4,10-11,13-16,19H2,1-3H3,(H,30,34)(H,31,32,33)/t29-/m1/s1.
What are the key properties of 6-[6-[(1-cyclopropylpiperidin-4-yl)amino]-3-pyridinyl]-N-[(2S)-2-(2-methoxyphenyl)-2-methylbutyl]pyrimidin-4-amine?
6-[6-[(1-cyclopropylpiperidin-4-yl)amino]-3-pyridinyl]-N-[(2S)-2-(2-methoxyphenyl)-2-methylbutyl]pyrimidin-4-amine has a molecular weight of 486.66 g/mol, XLogP of 5.37, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[(1-cyclopropylpiperidin-4-yl)amino]-3-pyridinyl]-N-[(2S)-2-(2-methoxyphenyl)-2-methylbutyl]pyrimidin-4-amine is sourced from PubChem (CID 163540662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).