N-(3,5-dimethylphenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide

C17H22N4O — CID 109248721

IUPACN-(3,5-dimethylphenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cnc(NCC(C)C)nc2)c1
InChIInChI=1S/C17H22N4O/c1-11(2)8-18-17-19-9-14(10-20-17)16(22)21-15-6-12(3)5-13(4)7-15/h5-7,9-11H,8H2,1-4H3,(H,21,22)(H,18,19,20)
InChIKeyFFHOQSWBUHQECR-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.41
Rot. Bonds5

About N-(3,5-dimethylphenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide

N-(3,5-dimethylphenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide (PubChem CID 109248721) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide
PubChem CID109248721
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-(3,5-dimethylphenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cnc(NCC(C)C)nc2)c1
InChIInChI=1S/C17H22N4O/c1-11(2)8-18-17-19-9-14(10-20-17)16(22)21-15-6-12(3)5-13(4)7-15/h5-7,9-11H,8H2,1-4H3,(H,21,22)(H,18,19,20)
InChIKeyFFHOQSWBUHQECR-UHFFFAOYSA-N
XLogP3.41
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109248729
2-(3,5-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266834
N-(3,4-dimethoxyphenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 109248760
N-(3,5-dimethylphenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide
CID 109265774
N-butan-2-yl-2-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 109248625
N-(3,5-dimethylphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide
CID 109266838
2-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109266917
2-(3,4-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266758
2-(4-chloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266851
N-(2-cyanophenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 109248810
N-(3,5-dimethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide
CID 109266885
N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 83408824

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide (CID 109248721) is N-(3,5-dimethylphenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide is Cc1cc(C)cc(NC(=O)c2cnc(NCC(C)C)nc2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide?
The InChIKey is FFHOQSWBUHQECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-11(2)8-18-17-19-9-14(10-20-17)16(22)21-15-6-12(3)5-13(4)7-15/h5-7,9-11H,8H2,1-4H3,(H,21,22)(H,18,19,20).
What are the key properties of N-(3,5-dimethylphenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide?
N-(3,5-dimethylphenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109248721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).