2-methyl-6-oxo-4-(2-pyridin-4-ylethylamino)-1H-pyrimidine-5-carbonitrile

C13H13N5O — CID 135849731

IUPAC2-methyl-6-oxo-4-(2-pyridin-4-ylethylamino)-1H-pyrimidine-5-carbonitrile
SMILESCc1nc(NCCc2ccncc2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C13H13N5O/c1-9-17-12(11(8-14)13(19)18-9)16-7-4-10-2-5-15-6-3-10/h2-3,5-6H,4,7H2,1H3,(H2,16,17,18,19)
InChIKeyJYJRIUOGMJKRAT-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.00
Rot. Bonds4

About 2-methyl-6-oxo-4-(2-pyridin-4-ylethylamino)-1H-pyrimidine-5-carbonitrile

2-methyl-6-oxo-4-(2-pyridin-4-ylethylamino)-1H-pyrimidine-5-carbonitrile (PubChem CID 135849731) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-methyl-6-oxo-4-(2-pyridin-4-ylethylamino)-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-oxo-4-(2-pyridin-4-ylethylamino)-1H-pyrimidine-5-carbonitrile
PubChem CID135849731
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name2-methyl-6-oxo-4-(2-pyridin-4-ylethylamino)-1H-pyrimidine-5-carbonitrile
SMILESCc1nc(NCCc2ccncc2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C13H13N5O/c1-9-17-12(11(8-14)13(19)18-9)16-7-4-10-2-5-15-6-3-10/h2-3,5-6H,4,7H2,1H3,(H2,16,17,18,19)
InChIKeyJYJRIUOGMJKRAT-UHFFFAOYSA-N
XLogP1.00
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Milrinone
CID 4197
Pelrinone
CID 135413516
4-Hydroxy-6-phenyl-2-(3-pyridinyl)-5-pyrimidinecarbonitrile
CID 135463837
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CID 2813162
6-Methyl-2-(3-pyridinyl)-4-pyrimidinol
CID 135439676
2-(Pivaloylamino)pyridine
CID 1051519
1-Ethyl-2-imino-8-methyl-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (pyridin-3-ylmethyl)-amide
CID 651452
2-cyano-N-(pyridin-2-yl)acetamide
CID 706187
(E)-2-cyano-3-(4-fluorophenyl)-N-(pyridin-2-yl)acrylamide
CID 5396610
2-[1-[(4-Methyl-2-pyridinyl)amino]ethylidene]propanedinitrile
CID 3598085
3-methyl-2-[(2R)-2-methylpiperazin-1-yl]-6-pyridin-4-ylpyrimidin-4-one
CID 25004597
3-methyl-2-[(2S)-2-methylpiperazin-1-yl]-6-pyridin-4-ylpyrimidin-4-one
CID 25004926

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-oxo-4-(2-pyridin-4-ylethylamino)-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 2-methyl-6-oxo-4-(2-pyridin-4-ylethylamino)-1H-pyrimidine-5-carbonitrile (CID 135849731) is 2-methyl-6-oxo-4-(2-pyridin-4-ylethylamino)-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-methyl-6-oxo-4-(2-pyridin-4-ylethylamino)-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 2-methyl-6-oxo-4-(2-pyridin-4-ylethylamino)-1H-pyrimidine-5-carbonitrile is Cc1nc(NCCc2ccncc2)c(C#N)c(=O)[nH]1.
What is the InChIKey of 2-methyl-6-oxo-4-(2-pyridin-4-ylethylamino)-1H-pyrimidine-5-carbonitrile?
The InChIKey is JYJRIUOGMJKRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-9-17-12(11(8-14)13(19)18-9)16-7-4-10-2-5-15-6-3-10/h2-3,5-6H,4,7H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-methyl-6-oxo-4-(2-pyridin-4-ylethylamino)-1H-pyrimidine-5-carbonitrile?
2-methyl-6-oxo-4-(2-pyridin-4-ylethylamino)-1H-pyrimidine-5-carbonitrile has a molecular weight of 255.28 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-oxo-4-(2-pyridin-4-ylethylamino)-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 135849731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).