N-cyclohexyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide

C21H26FN5O — CID 109342025

IUPACN-cyclohexyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(N2CCN(c3ccccc3F)CC2)ncn1
InChIInChI=1S/C21H26FN5O/c22-17-8-4-5-9-19(17)26-10-12-27(13-11-26)20-14-18(23-15-24-20)21(28)25-16-6-2-1-3-7-16/h4-5,8-9,14-16H,1-3,6-7,10-13H2,(H,25,28)
InChIKeyVZKBFURMGKMBDB-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.00
Rot. Bonds4

About N-cyclohexyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide

N-cyclohexyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide (PubChem CID 109342025) has the molecular formula C21H26FN5O and a molecular weight of 383.47 g/mol. Its IUPAC name is N-cyclohexyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide
PubChem CID109342025
Molecular FormulaC21H26FN5O
Molecular Weight383.47 g/mol
Exact Mass383.21
IUPAC NameN-cyclohexyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(N2CCN(c3ccccc3F)CC2)ncn1
InChIInChI=1S/C21H26FN5O/c22-17-8-4-5-9-19(17)26-10-12-27(13-11-26)20-14-18(23-15-24-20)21(28)25-16-6-2-1-3-7-16/h4-5,8-9,14-16H,1-3,6-7,10-13H2,(H,25,28)
InChIKeyVZKBFURMGKMBDB-UHFFFAOYSA-N
XLogP3.00
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentylpyrimidine-4-carboxamide
CID 109341438
N-cyclohexyl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carboxamide
CID 109342051
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109353022
N-cyclopentyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-5-carboxamide
CID 109249582
N-cyclohexyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 859123
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109353024
4-N,6-N-dicyclohexylpyrimidine-4,6-dicarboxamide
CID 131994880
N-cyclopropyl-6-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109339234
(4-ethylpiperazin-1-yl)-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]methanone
CID 109345442
N-cyclopropyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109339394
6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 78929785
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 112857944

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide (CID 109342025) is N-cyclohexyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide is O=C(NC1CCCCC1)c1cc(N2CCN(c3ccccc3F)CC2)ncn1.
What is the InChIKey of N-cyclohexyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is VZKBFURMGKMBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O/c22-17-8-4-5-9-19(17)26-10-12-27(13-11-26)20-14-18(23-15-24-20)21(28)25-16-6-2-1-3-7-16/h4-5,8-9,14-16H,1-3,6-7,10-13H2,(H,25,28).
What are the key properties of N-cyclohexyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
N-cyclohexyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109342025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).