N-cyclopropyl-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide

C16H18N4O — CID 109339315

IUPACN-cyclopropyl-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide
SMILESCc1cc(C)cc(Nc2cc(C(=O)NC3CC3)ncn2)c1
InChIInChI=1S/C16H18N4O/c1-10-5-11(2)7-13(6-10)19-15-8-14(17-9-18-15)16(21)20-12-3-4-12/h5-9,12H,3-4H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeySVPNUPNKZFMILL-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.73
Rot. Bonds4

About N-cyclopropyl-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide

N-cyclopropyl-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide (PubChem CID 109339315) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-cyclopropyl-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide
PubChem CID109339315
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-cyclopropyl-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide
SMILESCc1cc(C)cc(Nc2cc(C(=O)NC3CC3)ncn2)c1
InChIInChI=1S/C16H18N4O/c1-10-5-11(2)7-13(6-10)19-15-8-14(17-9-18-15)16(21)20-12-3-4-12/h5-9,12H,3-4H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeySVPNUPNKZFMILL-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-cycloheptyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109354049
N-cyclopropyl-6-(3,4,5-trimethoxyanilino)pyrimidine-4-carboxamide
CID 109339389
N-cyclopropyl-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109339316
6-(4-bromoanilino)-N-cyclopentylpyrimidine-4-carboxamide
CID 109341498
N-cyclopentyl-6-(3,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109363336
methyl 4-[[6-(cyclopropylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109339364
6-anilino-N-cyclopentylpyrimidine-4-carboxamide
CID 109341462
N-cyclopropyl-6-methylpyrimidine-4-carboxamide
CID 110848002
N-cyclopropyl-5-(3,5-dimethylanilino)pyridine-2-carboxamide
CID 109179932
6-(3,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355806
6-(3,5-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340475
N-[3-(dimethylamino)propyl]-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109344929

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide (CID 109339315) is N-cyclopropyl-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide is Cc1cc(C)cc(Nc2cc(C(=O)NC3CC3)ncn2)c1.
What is the InChIKey of N-cyclopropyl-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide?
The InChIKey is SVPNUPNKZFMILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-10-5-11(2)7-13(6-10)19-15-8-14(17-9-18-15)16(21)20-12-3-4-12/h5-9,12H,3-4H2,1-2H3,(H,20,21)(H,17,18,19).
What are the key properties of N-cyclopropyl-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide?
N-cyclopropyl-6-(3,5-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-(3,5-dimethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109339315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).