N-(2,4-dimethylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide

C17H22N4O — CID 109340287

IUPACN-(2,4-dimethylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NCC(C)C)ncn2)c(C)c1
InChIInChI=1S/C17H22N4O/c1-11(2)9-18-16-8-15(19-10-20-16)17(22)21-14-6-5-12(3)7-13(14)4/h5-8,10-11H,9H2,1-4H3,(H,21,22)(H,18,19,20)
InChIKeyNDMRXDDQIJGWMX-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.41
Rot. Bonds5

About N-(2,4-dimethylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide

N-(2,4-dimethylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide (PubChem CID 109340287) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
PubChem CID109340287
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-(2,4-dimethylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NCC(C)C)ncn2)c(C)c1
InChIInChI=1S/C17H22N4O/c1-11(2)9-18-16-8-15(19-10-20-16)17(22)21-14-6-5-12(3)7-13(14)4/h5-8,10-11H,9H2,1-4H3,(H,21,22)(H,18,19,20)
InChIKeyNDMRXDDQIJGWMX-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

N-(2-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340281
N-(2,4-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350181
N-(2,4-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343781
4-N-(2,4-dimethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855344
N-(2,4-dimethylphenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109353528
6-(2,4-dimethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109355977
6-(4-chloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356798
methyl 4-chloro-3-[[6-(2-methylpropylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109340339
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340340
N-(3-chlorophenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340306
N-(2,5-dimethylphenyl)-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347317
N-(4-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109273038

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide (CID 109340287) is N-(2,4-dimethylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2cc(NCC(C)C)ncn2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide?
The InChIKey is NDMRXDDQIJGWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-11(2)9-18-16-8-15(19-10-20-16)17(22)21-14-6-5-12(3)7-13(14)4/h5-8,10-11H,9H2,1-4H3,(H,21,22)(H,18,19,20).
What are the key properties of N-(2,4-dimethylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide?
N-(2,4-dimethylphenyl)-6-(2-methylpropylamino)pyrimidine-4-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-(2,4-dimethylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109340287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).