2-(2-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide

C16H20N4O — CID 109296974

IUPAC2-(2-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
SMILESCc1ccccc1Nc1nccc(C(=O)NCC(C)C)n1
InChIInChI=1S/C16H20N4O/c1-11(2)10-18-15(21)14-8-9-17-16(20-14)19-13-7-5-4-6-12(13)3/h4-9,11H,10H2,1-3H3,(H,18,21)(H,17,19,20)
InChIKeyRUPFRYPKNXJRNM-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.91
Rot. Bonds5

About 2-(2-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide

2-(2-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide (PubChem CID 109296974) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(2-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
PubChem CID109296974
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-(2-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
SMILESCc1ccccc1Nc1nccc(C(=O)NCC(C)C)n1
InChIInChI=1S/C16H20N4O/c1-11(2)10-18-15(21)14-8-9-17-16(20-14)19-13-7-5-4-6-12(13)3/h4-9,11H,10H2,1-3H3,(H,18,21)(H,17,19,20)
InChIKeyRUPFRYPKNXJRNM-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109296984
ethyl 2-[[4-(2-methylpropylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109297071
N-(2-methylpropyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109296920
N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109313745
2-(2,5-dimethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109311869
methyl 4-[[4-(2-methylpropylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109297032
ethyl 4-[[4-(2-methylpropylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109297055
N-(2-methylpropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109297024
N-(3-methylbutyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109311906
2-(2-methoxyanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109313739
2-(2,3-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109307651
2-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109295056

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide (CID 109296974) is 2-(2-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide is Cc1ccccc1Nc1nccc(C(=O)NCC(C)C)n1.
What is the InChIKey of 2-(2-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide?
The InChIKey is RUPFRYPKNXJRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11(2)10-18-15(21)14-8-9-17-16(20-14)19-13-7-5-4-6-12(13)3/h4-9,11H,10H2,1-3H3,(H,18,21)(H,17,19,20).
What are the key properties of 2-(2-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide?
2-(2-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109296974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).