5-[[6-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile

C23H27N9 — CID 132766777

IUPAC5-[[6-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile
SMILESCc1nc(Nc2ccc(C#N)nc2)cc(C2CCCCN2Cc2cnc(N(C)C)nc2)n1
InChIInChI=1S/C23H27N9/c1-16-28-20(10-22(29-16)30-19-8-7-18(11-24)25-14-19)21-6-4-5-9-32(21)15-17-12-26-23(27-13-17)31(2)3/h7-8,10,12-14,21H,4-6,9,15H2,1-3H3,(H,28,29,30)
InChIKeyIHICFMXQSIKICJ-UHFFFAOYSA-N
MW429.53 g/mol
LogP3.38
Rot. Bonds6

About 5-[[6-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile

5-[[6-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile (PubChem CID 132766777) has the molecular formula C23H27N9 and a molecular weight of 429.53 g/mol. Its IUPAC name is 5-[[6-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[6-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile
PubChem CID132766777
Molecular FormulaC23H27N9
Molecular Weight429.53 g/mol
Exact Mass429.24
IUPAC Name5-[[6-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile
SMILESCc1nc(Nc2ccc(C#N)nc2)cc(C2CCCCN2Cc2cnc(N(C)C)nc2)n1
InChIInChI=1S/C23H27N9/c1-16-28-20(10-22(29-16)30-19-8-7-18(11-24)25-14-19)21-6-4-5-9-32(21)15-17-12-26-23(27-13-17)31(2)3/h7-8,10,12-14,21H,4-6,9,15H2,1-3H3,(H,28,29,30)
InChIKeyIHICFMXQSIKICJ-UHFFFAOYSA-N
XLogP3.38
TPSA106.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[[6-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile with MolForge

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Related Compounds

5-[[6-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile
CID 132766506
5-[[6-[1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile
CID 132767161
5-[[6-[1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]pyridine-2-carbonitrile
CID 132778232
5-[[5-[1-(1H-indol-5-ylmethyl)piperidin-2-yl]pyrazin-2-yl]amino]pyridine-2-carbonitrile
CID 132771847
2-[[6-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
CID 132778397
5-[[6-[1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]pyridine-2-carbonitrile
CID 132766139
2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]-N-pyrazin-2-ylpyrimidin-4-amine
CID 110095459
N,N-dimethyl-4-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 127244833
2-methyl-6-[(2R)-1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 124998938
N-[2-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 124944756
2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine
CID 110256090
2-methyl-6-[(2R)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-2-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 125016121

Frequently Asked Questions

What is the IUPAC name of 5-[[6-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[[6-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile (CID 132766777) is 5-[[6-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[6-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[6-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile is Cc1nc(Nc2ccc(C#N)nc2)cc(C2CCCCN2Cc2cnc(N(C)C)nc2)n1.
What is the InChIKey of 5-[[6-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile?
The InChIKey is IHICFMXQSIKICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N9/c1-16-28-20(10-22(29-16)30-19-8-7-18(11-24)25-14-19)21-6-4-5-9-32(21)15-17-12-26-23(27-13-17)31(2)3/h7-8,10,12-14,21H,4-6,9,15H2,1-3H3,(H,28,29,30).
What are the key properties of 5-[[6-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile?
5-[[6-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile has a molecular weight of 429.53 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]-2-methylpyrimidin-4-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 132766777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).