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

C16H18N4O — CID 109339316

IUPACN-cyclopropyl-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide
SMILESCc1cccc(C)c1Nc1cc(C(=O)NC2CC2)ncn1
InChIInChI=1S/C16H18N4O/c1-10-4-3-5-11(2)15(10)20-14-8-13(17-9-18-14)16(21)19-12-6-7-12/h3-5,8-9,12H,6-7H2,1-2H3,(H,19,21)(H,17,18,20)
InChIKeyCTFSSGAANOAZCJ-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.73
Rot. Bonds4

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

N-cyclopropyl-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide (PubChem CID 109339316) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-cyclopropyl-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide
PubChem CID109339316
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-cyclopropyl-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide
SMILESCc1cccc(C)c1Nc1cc(C(=O)NC2CC2)ncn1
InChIInChI=1S/C16H18N4O/c1-10-4-3-5-11(2)15(10)20-14-8-13(17-9-18-14)16(21)19-12-6-7-12/h3-5,8-9,12H,6-7H2,1-2H3,(H,19,21)(H,17,18,20)
InChIKeyCTFSSGAANOAZCJ-UHFFFAOYSA-N
XLogP2.73
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide
CID 109339321
N-cyclopropyl-6-(2,6-dichloroanilino)pyrimidine-4-carboxamide
CID 109339399
N-cyclopropyl-6-(2,6-difluoroanilino)pyrimidine-4-carboxamide
CID 109339410
N-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide
CID 109339385
N-cyclopropyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109361061
6-(2,6-dimethylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109354537
N-cyclopropyl-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109339315
N-(1,1-dioxothiolan-3-yl)-6-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109351844
N-cycloheptyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109354049
6-anilino-N-cyclopentylpyrimidine-4-carboxamide
CID 109341462
N-(2-chlorophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109357083
6-(3-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide
CID 109342093

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide (CID 109339316) is N-cyclopropyl-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide is Cc1cccc(C)c1Nc1cc(C(=O)NC2CC2)ncn1.
What is the InChIKey of N-cyclopropyl-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide?
The InChIKey is CTFSSGAANOAZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-10-4-3-5-11(2)15(10)20-14-8-13(17-9-18-14)16(21)19-12-6-7-12/h3-5,8-9,12H,6-7H2,1-2H3,(H,19,21)(H,17,18,20).
What are the key properties of N-cyclopropyl-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide?
N-cyclopropyl-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 2.73, 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)pyrimidine-4-carboxamide is sourced from PubChem (CID 109339316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).