2-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide

C12H19N5O — CID 72889417

IUPAC2-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide
SMILESCCc1c(C)nc(N)nc1NCC(=O)NC1CC1
InChIInChI=1S/C12H19N5O/c1-3-9-7(2)15-12(13)17-11(9)14-6-10(18)16-8-4-5-8/h8H,3-6H2,1-2H3,(H,16,18)(H3,13,14,15,17)
InChIKeyCEBCIQCMVWWAGP-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.62
Rot. Bonds5

About 2-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide

2-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide (PubChem CID 72889417) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide
PubChem CID72889417
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide
SMILESCCc1c(C)nc(N)nc1NCC(=O)NC1CC1
InChIInChI=1S/C12H19N5O/c1-3-9-7(2)15-12(13)17-11(9)14-6-10(18)16-8-4-5-8/h8H,3-6H2,1-2H3,(H,16,18)(H3,13,14,15,17)
InChIKeyCEBCIQCMVWWAGP-UHFFFAOYSA-N
XLogP0.62
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 89752420
4-N-butyl-5-ethyl-6-methylpyrimidine-2,4-diamine
CID 135271011
N-{1-[7-acetyl-2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperidin-4-yl}acetamide
CID 56871379
(2S,4R)-4-amino-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-N,N-diethylpyrrolidine-2-carboxamide
CID 70727940
N~3~-(2-amino-6-ethyl-5-methylpyrimidin-4-yl)-N~1~-cyclohexyl-beta-alaninamide
CID 72885252
6-ethyl-5-methyl-N~4~-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 72907037
N,N-diethyl-2-[4-(methylamino)-2-piperidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide
CID 92625511
N-[2-(2,4-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-2-oxoethyl]acetamide
CID 97515571
2-(Dimethylamino)-1-[4-(propan-2-ylamino)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]ethanone
CID 97516503
1-[2-[7-(cyclopropylmethyl)-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110265912
4-[(3R)-3-aminopyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 165671954
N-(2-((2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl)amino)-2-oxoethyl)butyramide
CID 76147867

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide (CID 72889417) is 2-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide is CCc1c(C)nc(N)nc1NCC(=O)NC1CC1.
What is the InChIKey of 2-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide?
The InChIKey is CEBCIQCMVWWAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-3-9-7(2)15-12(13)17-11(9)14-6-10(18)16-8-4-5-8/h8H,3-6H2,1-2H3,(H,16,18)(H3,13,14,15,17).
What are the key properties of 2-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide?
2-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide has a molecular weight of 249.32 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide is sourced from PubChem (CID 72889417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).