2-(5-chloro-2-methylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide

C20H25ClN4O — CID 109332958

IUPAC2-(5-chloro-2-methylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCCCC2)nc(Nc2cc(Cl)ccc2C)n1
InChIInChI=1S/C20H25ClN4O/c1-13-9-10-15(21)12-17(13)24-20-22-14(2)11-18(25-20)19(26)23-16-7-5-3-4-6-8-16/h9-12,16H,3-8H2,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyLFGRRTQFGIIWPV-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.94
Rot. Bonds4

About 2-(5-chloro-2-methylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide

2-(5-chloro-2-methylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide (PubChem CID 109332958) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is 2-(5-chloro-2-methylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(5-chloro-2-methylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide
PubChem CID109332958
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC Name2-(5-chloro-2-methylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCCCC2)nc(Nc2cc(Cl)ccc2C)n1
InChIInChI=1S/C20H25ClN4O/c1-13-9-10-15(21)12-17(13)24-20-22-14(2)11-18(25-20)19(26)23-16-7-5-3-4-6-8-16/h9-12,16H,3-8H2,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyLFGRRTQFGIIWPV-UHFFFAOYSA-N
XLogP4.94
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109322853
N-cycloheptyl-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109332952
2-[4-chloro-2-(trifluoromethyl)anilino]-N-cyclopropyl-6-methylpyrimidine-4-carboxamide
CID 109320010
2-(5-chloro-2-methylanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109335156
N-cyclopentyl-2-[4-(diethylamino)-2-methylanilino]-6-methylpyrimidine-4-carboxamide
CID 109322269
2-anilino-N-cyclopentyl-6-methylpyrimidine-4-carboxamide
CID 109322174
methyl 2-[[4-(cyclohexylcarbamoyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109322901
N-cyclopropyl-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109319930
methyl 2-[[4-(cyclopentylcarbamoyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109322231
[2-(5-chloro-2-methylanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109334052
N-cyclopentyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319648
N-cycloheptyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109332948

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(5-chloro-2-methylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide (CID 109332958) is 2-(5-chloro-2-methylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(5-chloro-2-methylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(5-chloro-2-methylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)NC2CCCCCC2)nc(Nc2cc(Cl)ccc2C)n1.
What is the InChIKey of 2-(5-chloro-2-methylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide?
The InChIKey is LFGRRTQFGIIWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O/c1-13-9-10-15(21)12-17(13)24-20-22-14(2)11-18(25-20)19(26)23-16-7-5-3-4-6-8-16/h9-12,16H,3-8H2,1-2H3,(H,23,26)(H,22,24,25).
What are the key properties of 2-(5-chloro-2-methylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide?
2-(5-chloro-2-methylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide has a molecular weight of 372.90 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109332958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).