1,3-dimethyl-2,4-dioxo-6-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyrimidine-5-carbonitrile

C16H21N7O2 — CID 95341786

IUPAC1,3-dimethyl-2,4-dioxo-6-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyrimidine-5-carbonitrile
SMILESCC(C)c1nc2n(n1)C[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)CC2
InChIInChI=1S/C16H21N7O2/c1-9(2)13-19-12-6-5-10(8-23(12)20-13)18-14-11(7-17)15(24)22(4)16(25)21(14)3/h9-10,18H,5-6,8H2,1-4H3/t10-/m1/s1
InChIKeyYKUVREHWQGHXNI-SNVBAGLBSA-N
MW343.39 g/mol
LogP0.10
Rot. Bonds3

About 1,3-dimethyl-2,4-dioxo-6-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyrimidine-5-carbonitrile

1,3-dimethyl-2,4-dioxo-6-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyrimidine-5-carbonitrile (PubChem CID 95341786) has the molecular formula C16H21N7O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-6-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-6-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyrimidine-5-carbonitrile
PubChem CID95341786
Molecular FormulaC16H21N7O2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC Name1,3-dimethyl-2,4-dioxo-6-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyrimidine-5-carbonitrile
SMILESCC(C)c1nc2n(n1)C[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)CC2
InChIInChI=1S/C16H21N7O2/c1-9(2)13-19-12-6-5-10(8-23(12)20-13)18-14-11(7-17)15(24)22(4)16(25)21(14)3/h9-10,18H,5-6,8H2,1-4H3/t10-/m1/s1
InChIKeyYKUVREHWQGHXNI-SNVBAGLBSA-N
XLogP0.10
TPSA110.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1,3-dimethyl-2,4-dioxo-6-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyrimidine-5-carbonitrile with MolForge

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Related Compounds

1,3-dimethyl-2,4-dioxo-6-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyrimidine-5-carbonitrile
CID 95288438
2-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyridine-3-carbonitrile
CID 95343247
(3R)-3-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]oxolan-2-one
CID 95340427
N-(4-ethylsulfonylphenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 91651140
3-[[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]benzonitrile
CID 119124039
N-[4-[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]cyclohexyl]acetamide
CID 99634698
2-[4-[(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
CID 133296827
1,3-dimethyl-2,4-dioxo-6-[[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyrimidine-5-carbonitrile
CID 129473642
2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol
CID 117154532
1,3-dimethyl-2,4-dioxo-6-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile
CID 94017646
1,3-dimethyl-2,4-dioxo-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidine-5-carbonitrile
CID 94017645
1,3-dimethyl-4-(3-methylbutan-2-ylamino)-2,6-dioxopyrimidine-5-carbonitrile
CID 51322324

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-6-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyrimidine-5-carbonitrile?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-6-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyrimidine-5-carbonitrile (CID 95341786) is 1,3-dimethyl-2,4-dioxo-6-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-6-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyrimidine-5-carbonitrile?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-6-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyrimidine-5-carbonitrile is CC(C)c1nc2n(n1)C[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)CC2.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-6-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyrimidine-5-carbonitrile?
The InChIKey is YKUVREHWQGHXNI-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H21N7O2/c1-9(2)13-19-12-6-5-10(8-23(12)20-13)18-14-11(7-17)15(24)22(4)16(25)21(14)3/h9-10,18H,5-6,8H2,1-4H3/t10-/m1/s1.
What are the key properties of 1,3-dimethyl-2,4-dioxo-6-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyrimidine-5-carbonitrile?
1,3-dimethyl-2,4-dioxo-6-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyrimidine-5-carbonitrile has a molecular weight of 343.39 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dioxo-6-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 95341786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).