6-methyl-2-(2-methylanilino)-N-pentylpyrimidine-4-carboxamide

C18H24N4O — CID 109333426

IUPAC6-methyl-2-(2-methylanilino)-N-pentylpyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1cc(C)nc(Nc2ccccc2C)n1
InChIInChI=1S/C18H24N4O/c1-4-5-8-11-19-17(23)16-12-14(3)20-18(22-16)21-15-10-7-6-9-13(15)2/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,19,23)(H,20,21,22)
InChIKeyAVDYFFFNTNMKOA-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.76
Rot. Bonds7

About 6-methyl-2-(2-methylanilino)-N-pentylpyrimidine-4-carboxamide

6-methyl-2-(2-methylanilino)-N-pentylpyrimidine-4-carboxamide (PubChem CID 109333426) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 6-methyl-2-(2-methylanilino)-N-pentylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-(2-methylanilino)-N-pentylpyrimidine-4-carboxamide
PubChem CID109333426
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name6-methyl-2-(2-methylanilino)-N-pentylpyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1cc(C)nc(Nc2ccccc2C)n1
InChIInChI=1S/C18H24N4O/c1-4-5-8-11-19-17(23)16-12-14(3)20-18(22-16)21-15-10-7-6-9-13(15)2/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,19,23)(H,20,21,22)
InChIKeyAVDYFFFNTNMKOA-UHFFFAOYSA-N
XLogP3.76
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methyl-2-(2-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333204
N-butyl-2-(4-chloro-2-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109320721
2-(2-ethylanilino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319157
N-butyl-2-(3-chloro-2-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109320719
2-(4-chloro-2-methoxy-5-methylanilino)-6-methyl-N-pentylpyrimidine-4-carboxamide
CID 109333515
2-(2-bromoanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324165
2-(2-fluoroanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109332533
N-(4-ethylphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide
CID 109334736
methyl 2-[[4-(3-methoxypropylcarbamoyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109324151
6-methyl-2-(2-phenoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109319229
2-(2,6-dimethylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324105
N-butyl-2-(3,4-dichloroanilino)-6-methylpyrimidine-4-carboxamide
CID 109320778

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-methylanilino)-N-pentylpyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-2-(2-methylanilino)-N-pentylpyrimidine-4-carboxamide (CID 109333426) is 6-methyl-2-(2-methylanilino)-N-pentylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-2-(2-methylanilino)-N-pentylpyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-2-(2-methylanilino)-N-pentylpyrimidine-4-carboxamide is CCCCCNC(=O)c1cc(C)nc(Nc2ccccc2C)n1.
What is the InChIKey of 6-methyl-2-(2-methylanilino)-N-pentylpyrimidine-4-carboxamide?
The InChIKey is AVDYFFFNTNMKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-4-5-8-11-19-17(23)16-12-14(3)20-18(22-16)21-15-10-7-6-9-13(15)2/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,19,23)(H,20,21,22).
What are the key properties of 6-methyl-2-(2-methylanilino)-N-pentylpyrimidine-4-carboxamide?
6-methyl-2-(2-methylanilino)-N-pentylpyrimidine-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methylanilino)-N-pentylpyrimidine-4-carboxamide is sourced from PubChem (CID 109333426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).