N-cyclopropyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide

C17H20N4O — CID 109361061

IUPACN-cyclopropyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2c(C)cccc2C)cc(C(=O)NC2CC2)n1
InChIInChI=1S/C17H20N4O/c1-10-5-4-6-11(2)16(10)21-15-9-14(18-12(3)19-15)17(22)20-13-7-8-13/h4-6,9,13H,7-8H2,1-3H3,(H,20,22)(H,18,19,21)
InChIKeyKATJRLHPESTPCJ-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.04
Rot. Bonds4

About N-cyclopropyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide

N-cyclopropyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109361061) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-cyclopropyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
PubChem CID109361061
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-cyclopropyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2c(C)cccc2C)cc(C(=O)NC2CC2)n1
InChIInChI=1S/C17H20N4O/c1-10-5-4-6-11(2)16(10)21-15-9-14(18-12(3)19-15)17(22)20-13-7-8-13/h4-6,9,13H,7-8H2,1-3H3,(H,20,22)(H,18,19,21)
InChIKeyKATJRLHPESTPCJ-UHFFFAOYSA-N
XLogP3.04
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-6-(2-ethyl-6-methylanilino)-2-methylpyrimidine-4-carboxamide
CID 109363342
N-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]-2-methylpyrimidine-4-carboxamide
CID 109361130
6-(2,6-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-2-methylpyrimidine-4-carboxamide
CID 109372464
N-cyclopropyl-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109339316
N-cyclopropyl-6-(2,3-dichloroanilino)-2-methylpyrimidine-4-carboxamide
CID 109361144
6-(2-chloroanilino)-N-cyclopropyl-2-methylpyrimidine-4-carboxamide
CID 109361076
N-butyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109361834
N-cyclohexyl-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109364005
6-(3-bromo-4-methylanilino)-N-cyclopentyl-2-methylpyrimidine-4-carboxamide
CID 109363363
6-(3-chloroanilino)-N-cyclohexyl-2-methylpyrimidine-4-carboxamide
CID 109364026
N-cyclopropyl-2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide
CID 109361116
N-benzyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109368422

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide (CID 109361061) is N-cyclopropyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide is Cc1nc(Nc2c(C)cccc2C)cc(C(=O)NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is KATJRLHPESTPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-10-5-4-6-11(2)16(10)21-15-9-14(18-12(3)19-15)17(22)20-13-7-8-13/h4-6,9,13H,7-8H2,1-3H3,(H,20,22)(H,18,19,21).
What are the key properties of N-cyclopropyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide?
N-cyclopropyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109361061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).