N-(2-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide

C16H20N4O — CID 109340281

IUPACN-(2-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
SMILESCc1ccccc1NC(=O)c1cc(NCC(C)C)ncn1
InChIInChI=1S/C16H20N4O/c1-11(2)9-17-15-8-14(18-10-19-15)16(21)20-13-7-5-4-6-12(13)3/h4-8,10-11H,9H2,1-3H3,(H,20,21)(H,17,18,19)
InChIKeyMHRQXUDIDJJUNE-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.11
Rot. Bonds5

About N-(2-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide

N-(2-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide (PubChem CID 109340281) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(2-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
PubChem CID109340281
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-(2-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
SMILESCc1ccccc1NC(=O)c1cc(NCC(C)C)ncn1
InChIInChI=1S/C16H20N4O/c1-11(2)9-17-15-8-14(18-10-19-15)16(21)20-13-7-5-4-6-12(13)3/h4-8,10-11H,9H2,1-3H3,(H,20,21)(H,17,18,19)
InChIKeyMHRQXUDIDJJUNE-UHFFFAOYSA-N
XLogP3.11
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340287
N-(2-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347068
N-(3-chlorophenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340306
N-benzyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340213
6-(2,4-dimethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109355977
N-(3-acetylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340332
6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109352420
N-(5-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109354221
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
6-(2-methylpropylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109340230
N-(2,6-dimethylphenyl)-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109354203

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide (CID 109340281) is N-(2-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide is Cc1ccccc1NC(=O)c1cc(NCC(C)C)ncn1.
What is the InChIKey of N-(2-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide?
The InChIKey is MHRQXUDIDJJUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11(2)9-17-15-8-14(18-10-19-15)16(21)20-13-7-5-4-6-12(13)3/h4-8,10-11H,9H2,1-3H3,(H,20,21)(H,17,18,19).
What are the key properties of N-(2-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide?
N-(2-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109340281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).