6-[[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]amino]-2,4-dimethylpyridine-3-carbonitrile

C17H21N7O — CID 163311498

IUPAC6-[[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]amino]-2,4-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NC2CCN(c3cc(=O)[nH]c(N)n3)CC2)nc(C)c1C#N
InChIInChI=1S/C17H21N7O/c1-10-7-14(20-11(2)13(10)9-18)21-12-3-5-24(6-4-12)15-8-16(25)23-17(19)22-15/h7-8,12H,3-6H2,1-2H3,(H,20,21)(H3,19,22,23,25)
InChIKeyUJBXRCJIRNAEDT-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.32
Rot. Bonds3

About 6-[[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]amino]-2,4-dimethylpyridine-3-carbonitrile

6-[[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]amino]-2,4-dimethylpyridine-3-carbonitrile (PubChem CID 163311498) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 6-[[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]amino]-2,4-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]amino]-2,4-dimethylpyridine-3-carbonitrile
PubChem CID163311498
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name6-[[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]amino]-2,4-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NC2CCN(c3cc(=O)[nH]c(N)n3)CC2)nc(C)c1C#N
InChIInChI=1S/C17H21N7O/c1-10-7-14(20-11(2)13(10)9-18)21-12-3-5-24(6-4-12)15-8-16(25)23-17(19)22-15/h7-8,12H,3-6H2,1-2H3,(H,20,21)(H3,19,22,23,25)
InChIKeyUJBXRCJIRNAEDT-UHFFFAOYSA-N
XLogP1.32
TPSA123.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]amino]-2,4-dimethylpyridine-3-carbonitrile?
The IUPAC name of 6-[[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]amino]-2,4-dimethylpyridine-3-carbonitrile (CID 163311498) is 6-[[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]amino]-2,4-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 6-[[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]amino]-2,4-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 6-[[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]amino]-2,4-dimethylpyridine-3-carbonitrile is Cc1cc(NC2CCN(c3cc(=O)[nH]c(N)n3)CC2)nc(C)c1C#N.
What is the InChIKey of 6-[[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]amino]-2,4-dimethylpyridine-3-carbonitrile?
The InChIKey is UJBXRCJIRNAEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-10-7-14(20-11(2)13(10)9-18)21-12-3-5-24(6-4-12)15-8-16(25)23-17(19)22-15/h7-8,12H,3-6H2,1-2H3,(H,20,21)(H3,19,22,23,25).
What are the key properties of 6-[[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]amino]-2,4-dimethylpyridine-3-carbonitrile?
6-[[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]amino]-2,4-dimethylpyridine-3-carbonitrile has a molecular weight of 339.40 g/mol, XLogP of 1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]amino]-2,4-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 163311498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).