2-chloro-N-(cyclopropylmethyl)-6-(diethylamino)pyrimidine-4-carboxamide

C13H19ClN4O — CID 150620590

IUPAC2-chloro-N-(cyclopropylmethyl)-6-(diethylamino)pyrimidine-4-carboxamide
SMILESCCN(CC)c1cc(C(=O)NCC2CC2)nc(Cl)n1
InChIInChI=1S/C13H19ClN4O/c1-3-18(4-2)11-7-10(16-13(14)17-11)12(19)15-8-9-5-6-9/h7,9H,3-6,8H2,1-2H3,(H,15,19)
InChIKeyIVUUZDGGLXPYAB-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.12
Rot. Bonds6

About 2-chloro-N-(cyclopropylmethyl)-6-(diethylamino)pyrimidine-4-carboxamide

2-chloro-N-(cyclopropylmethyl)-6-(diethylamino)pyrimidine-4-carboxamide (PubChem CID 150620590) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-chloro-N-(cyclopropylmethyl)-6-(diethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(cyclopropylmethyl)-6-(diethylamino)pyrimidine-4-carboxamide
PubChem CID150620590
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name2-chloro-N-(cyclopropylmethyl)-6-(diethylamino)pyrimidine-4-carboxamide
SMILESCCN(CC)c1cc(C(=O)NCC2CC2)nc(Cl)n1
InChIInChI=1S/C13H19ClN4O/c1-3-18(4-2)11-7-10(16-13(14)17-11)12(19)15-8-9-5-6-9/h7,9H,3-6,8H2,1-2H3,(H,15,19)
InChIKeyIVUUZDGGLXPYAB-UHFFFAOYSA-N
XLogP2.12
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(cyclopropylmethyl)-6-(4,4-difluoropiperidin-1-yl)pyrimidine-4-carboxamide
CID 150982551
N-(cyclopropylmethyl)-1-methylimidazole-4-carboxamide
CID 130626722
N-cyclohexyl-6-(diethylamino)-2-methylpyrimidine-4-carboxamide
CID 109363988
6-chloro-N-[(4-methylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 106551213
N-(cyclopropylmethyl)-2,6-bis[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide
CID 147722603
4-chloro-N-(cyclopentylmethyl)quinoline-2-carboxamide
CID 63376122
N-(cyclopropylmethyl)-4-(diethylamino)-5,7-dimethylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 71835761
N-(4-chloro-2,5-dimethoxyphenyl)-6-(diethylamino)-2-methylpyrimidine-4-carboxamide
CID 109373384
N-(cyclopropylmethyl)-1-(ethylamino)isoquinoline-3-carboxamide
CID 62173096
N-(cyclopropylmethyl)-2-methyltriazole-4-carboxamide
CID 130608801
6-(diethylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369048
2-chloro-6-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-4-carboxamide
CID 114219602

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclopropylmethyl)-6-(diethylamino)pyrimidine-4-carboxamide?
The IUPAC name of 2-chloro-N-(cyclopropylmethyl)-6-(diethylamino)pyrimidine-4-carboxamide (CID 150620590) is 2-chloro-N-(cyclopropylmethyl)-6-(diethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(cyclopropylmethyl)-6-(diethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(cyclopropylmethyl)-6-(diethylamino)pyrimidine-4-carboxamide is CCN(CC)c1cc(C(=O)NCC2CC2)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-(cyclopropylmethyl)-6-(diethylamino)pyrimidine-4-carboxamide?
The InChIKey is IVUUZDGGLXPYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-3-18(4-2)11-7-10(16-13(14)17-11)12(19)15-8-9-5-6-9/h7,9H,3-6,8H2,1-2H3,(H,15,19).
What are the key properties of 2-chloro-N-(cyclopropylmethyl)-6-(diethylamino)pyrimidine-4-carboxamide?
2-chloro-N-(cyclopropylmethyl)-6-(diethylamino)pyrimidine-4-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclopropylmethyl)-6-(diethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 150620590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).