N-cycloheptyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide

C21H28N4O — CID 109332948

IUPACN-cycloheptyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
SMILESCCc1ccc(Nc2nc(C)cc(C(=O)NC3CCCCCC3)n2)cc1
InChIInChI=1S/C21H28N4O/c1-3-16-10-12-18(13-11-16)24-21-22-15(2)14-19(25-21)20(26)23-17-8-6-4-5-7-9-17/h10-14,17H,3-9H2,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyUATHDLPZQKTPMU-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.54
Rot. Bonds5

About N-cycloheptyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide

N-cycloheptyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109332948) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-cycloheptyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
PubChem CID109332948
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-cycloheptyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
SMILESCCc1ccc(Nc2nc(C)cc(C(=O)NC3CCCCCC3)n2)cc1
InChIInChI=1S/C21H28N4O/c1-3-16-10-12-18(13-11-16)24-21-22-15(2)14-19(25-21)20(26)23-17-8-6-4-5-7-9-17/h10-14,17H,3-9H2,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyUATHDLPZQKTPMU-UHFFFAOYSA-N
XLogP4.54
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109319937
2-anilino-N-cyclopentyl-6-methylpyrimidine-4-carboxamide
CID 109322174
methyl 4-[[4-(cyclopentylcarbamoyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109322233
2-(4-ethylanilino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319158
2-(3-acetylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide
CID 109332978
N-cyclohexyl-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109322884
N-cycloheptyl-2-(4-ethylanilino)pyrimidine-5-carboxamide
CID 109263102
2-(4-ethylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334637
2-(4-ethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333217
N-cyclohexyl-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109322853
N-cyclopentyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319648
2-(5-chloro-2-methylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide
CID 109332958

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide (CID 109332948) is N-cycloheptyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide is CCc1ccc(Nc2nc(C)cc(C(=O)NC3CCCCCC3)n2)cc1.
What is the InChIKey of N-cycloheptyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is UATHDLPZQKTPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-3-16-10-12-18(13-11-16)24-21-22-15(2)14-19(25-21)20(26)23-17-8-6-4-5-7-9-17/h10-14,17H,3-9H2,1-2H3,(H,23,26)(H,22,24,25).
What are the key properties of N-cycloheptyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide?
N-cycloheptyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109332948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).