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

C19H23FN4O — CID 109332952

IUPACN-cycloheptyl-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCCCC2)nc(Nc2ccccc2F)n1
InChIInChI=1S/C19H23FN4O/c1-13-12-17(18(25)22-14-8-4-2-3-5-9-14)24-19(21-13)23-16-11-7-6-10-15(16)20/h6-7,10-12,14H,2-5,8-9H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyOTXXWIIXVYJSRA-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.12
Rot. Bonds4

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

N-cycloheptyl-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109332952) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is N-cycloheptyl-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
PubChem CID109332952
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC NameN-cycloheptyl-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCCCC2)nc(Nc2ccccc2F)n1
InChIInChI=1S/C19H23FN4O/c1-13-12-17(18(25)22-14-8-4-2-3-5-9-14)24-19(21-13)23-16-11-7-6-10-15(16)20/h6-7,10-12,14H,2-5,8-9H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyOTXXWIIXVYJSRA-UHFFFAOYSA-N
XLogP4.12
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[4-(cyclohexylcarbamoyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109322901
N-cyclohexyl-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109322796
methyl 2-[[4-(cyclopentylcarbamoyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109322231
2-anilino-N-cyclopentyl-6-methylpyrimidine-4-carboxamide
CID 109322174
2-(5-chloro-2-methylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide
CID 109332958
N-cyclohexyl-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109322853
N-(2,6-difluorophenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336774
N-cyclohexyl-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109322884
2-(3-acetylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide
CID 109332978
N-cyclopentyl-2-[4-(diethylamino)-2-methylanilino]-6-methylpyrimidine-4-carboxamide
CID 109322269
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 N-cycloheptyl-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide (CID 109332952) is N-cycloheptyl-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)NC2CCCCCC2)nc(Nc2ccccc2F)n1.
What is the InChIKey of N-cycloheptyl-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is OTXXWIIXVYJSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-13-12-17(18(25)22-14-8-4-2-3-5-9-14)24-19(21-13)23-16-11-7-6-10-15(16)20/h6-7,10-12,14H,2-5,8-9H2,1H3,(H,22,25)(H,21,23,24).
What are the key properties of N-cycloheptyl-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide?
N-cycloheptyl-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109332952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).