N-cyclohexyl-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide

C19H23FN4O — CID 109322796

IUPACN-cyclohexyl-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCCC2)nc(NCc2ccccc2F)n1
InChIInChI=1S/C19H23FN4O/c1-13-11-17(18(25)23-15-8-3-2-4-9-15)24-19(22-13)21-12-14-7-5-6-10-16(14)20/h5-7,10-11,15H,2-4,8-9,12H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyWNVAVYJLGQOLGI-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.60
Rot. Bonds5

About N-cyclohexyl-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide

N-cyclohexyl-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide (PubChem CID 109322796) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is N-cyclohexyl-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
PubChem CID109322796
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC NameN-cyclohexyl-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCCC2)nc(NCc2ccccc2F)n1
InChIInChI=1S/C19H23FN4O/c1-13-11-17(18(25)23-15-8-3-2-4-9-15)24-19(22-13)21-12-14-7-5-6-10-16(14)20/h5-7,10-11,15H,2-4,8-9,12H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyWNVAVYJLGQOLGI-UHFFFAOYSA-N
XLogP3.60
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109332952
N-cyclohexyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109322833
N-cycloheptyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109332449
N-cyclopentyl-6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109322113
2-[(2-fluorophenyl)methylamino]-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109321011
N-cyclohexyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109322838
2-anilino-N-cyclopentyl-6-methylpyrimidine-4-carboxamide
CID 109322174
2-[(2-fluorophenyl)methylamino]-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109328473
N-(3,4-difluorophenyl)-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109328519
N-cyclopentyl-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109273905
N-cyclohexyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109298788
N-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109328470

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide (CID 109322796) is N-cyclohexyl-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)NC2CCCCC2)nc(NCc2ccccc2F)n1.
What is the InChIKey of N-cyclohexyl-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide?
The InChIKey is WNVAVYJLGQOLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-13-11-17(18(25)23-15-8-3-2-4-9-15)24-19(22-13)21-12-14-7-5-6-10-16(14)20/h5-7,10-11,15H,2-4,8-9,12H2,1H3,(H,23,25)(H,21,22,24).
What are the key properties of N-cyclohexyl-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide?
N-cyclohexyl-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109322796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).