1,3-dimethyl-2,4-dioxo-6-[[(1R)-1-pyridin-2-ylethyl]amino]pyrimidine-5-carbonitrile

C14H15N5O2 — CID 41023972

IUPAC1,3-dimethyl-2,4-dioxo-6-[[(1R)-1-pyridin-2-ylethyl]amino]pyrimidine-5-carbonitrile
SMILESC[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)c1ccccn1
InChIInChI=1S/C14H15N5O2/c1-9(11-6-4-5-7-16-11)17-12-10(8-15)13(20)19(3)14(21)18(12)2/h4-7,9,17H,1-3H3/t9-/m1/s1
InChIKeyAAWKSIXUEJUUOM-SECBINFHSA-N
MW285.31 g/mol
LogP0.52
Rot. Bonds3

About 1,3-dimethyl-2,4-dioxo-6-[[(1R)-1-pyridin-2-ylethyl]amino]pyrimidine-5-carbonitrile

1,3-dimethyl-2,4-dioxo-6-[[(1R)-1-pyridin-2-ylethyl]amino]pyrimidine-5-carbonitrile (PubChem CID 41023972) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-6-[[(1R)-1-pyridin-2-ylethyl]amino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-6-[[(1R)-1-pyridin-2-ylethyl]amino]pyrimidine-5-carbonitrile
PubChem CID41023972
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name1,3-dimethyl-2,4-dioxo-6-[[(1R)-1-pyridin-2-ylethyl]amino]pyrimidine-5-carbonitrile
SMILESC[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)c1ccccn1
InChIInChI=1S/C14H15N5O2/c1-9(11-6-4-5-7-16-11)17-12-10(8-15)13(20)19(3)14(21)18(12)2/h4-7,9,17H,1-3H3/t9-/m1/s1
InChIKeyAAWKSIXUEJUUOM-SECBINFHSA-N
XLogP0.52
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,3-dimethyl-2,4-dioxo-6-[[(1R)-1-pyridin-2-ylethyl]amino]pyrimidine-5-carbonitrile with MolForge

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Related Compounds

1,3-dimethyl-4-(3-methylbutan-2-ylamino)-2,6-dioxopyrimidine-5-carbonitrile
CID 51322324
[(1S)-1-pyridin-2-ylethyl]cyanamide
CID 81401683
4-[[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 41291091
4-[[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 41291090
4-[4-(furan-2-yl)butan-2-ylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 17393323
2-chloro-4-[[1-methyl-2-oxo-4-(1-pyridin-2-ylethylamino)quinolin-8-yl]amino]pyridine-3-carbonitrile
CID 174161167
(2S)-2-[(5-cyano-1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 120964582
2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile
CID 81407753
1,3-dimethyl-4-[2-[(1-methylpyrazol-3-yl)amino]ethylamino]-2,6-dioxopyrimidine-5-carbonitrile
CID 100710657
1-methyl-N-(1-pyridin-2-ylethyl)imidazol-2-amine
CID 62132755
1,3-dimethyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2,6-dioxopyrimidine-5-carbonitrile
CID 133272617
3-fluoro-5-(1-pyridin-2-ylethylamino)benzonitrile
CID 102815363

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-6-[[(1R)-1-pyridin-2-ylethyl]amino]pyrimidine-5-carbonitrile?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-6-[[(1R)-1-pyridin-2-ylethyl]amino]pyrimidine-5-carbonitrile (CID 41023972) is 1,3-dimethyl-2,4-dioxo-6-[[(1R)-1-pyridin-2-ylethyl]amino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-6-[[(1R)-1-pyridin-2-ylethyl]amino]pyrimidine-5-carbonitrile?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-6-[[(1R)-1-pyridin-2-ylethyl]amino]pyrimidine-5-carbonitrile is C[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)c1ccccn1.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-6-[[(1R)-1-pyridin-2-ylethyl]amino]pyrimidine-5-carbonitrile?
The InChIKey is AAWKSIXUEJUUOM-SECBINFHSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-9(11-6-4-5-7-16-11)17-12-10(8-15)13(20)19(3)14(21)18(12)2/h4-7,9,17H,1-3H3/t9-/m1/s1.
What are the key properties of 1,3-dimethyl-2,4-dioxo-6-[[(1R)-1-pyridin-2-ylethyl]amino]pyrimidine-5-carbonitrile?
1,3-dimethyl-2,4-dioxo-6-[[(1R)-1-pyridin-2-ylethyl]amino]pyrimidine-5-carbonitrile has a molecular weight of 285.31 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dioxo-6-[[(1R)-1-pyridin-2-ylethyl]amino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 41023972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).