6-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-phenylpyrimidine-4-carboxamide

C22H22FN5O — CID 109353024

IUPAC6-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCN(C(=O)c1cc(N2CCN(c3ccccc3F)CC2)ncn1)c1ccccc1
InChIInChI=1S/C22H22FN5O/c1-26(17-7-3-2-4-8-17)22(29)19-15-21(25-16-24-19)28-13-11-27(12-14-28)20-10-6-5-9-18(20)23/h2-10,15-16H,11-14H2,1H3
InChIKeyBRQKUHZRWVUZSC-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.22
Rot. Bonds4

About 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-phenylpyrimidine-4-carboxamide

6-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 109353024) has the molecular formula C22H22FN5O and a molecular weight of 391.45 g/mol. Its IUPAC name is 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-phenylpyrimidine-4-carboxamide
PubChem CID109353024
Molecular FormulaC22H22FN5O
Molecular Weight391.45 g/mol
Exact Mass391.18
IUPAC Name6-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCN(C(=O)c1cc(N2CCN(c3ccccc3F)CC2)ncn1)c1ccccc1
InChIInChI=1S/C22H22FN5O/c1-26(17-7-3-2-4-8-17)22(29)19-15-21(25-16-24-19)28-13-11-27(12-14-28)20-10-6-5-9-18(20)23/h2-10,15-16H,11-14H2,1H3
InChIKeyBRQKUHZRWVUZSC-UHFFFAOYSA-N
XLogP3.22
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-acetylpiperazin-1-yl)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109345911
(4-ethylpiperazin-1-yl)-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]methanone
CID 109345442
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 112857944
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine
CID 163351970
N-cyclohexyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109342025
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109353022
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyrimidine
CID 35271779
6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 78929785
N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-4-carboxamide
CID 109174480
4-(2-fluorophenoxy)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine
CID 83289222
N-methyl-6-(methylamino)-N-phenylpyrimidine-4-carboxamide
CID 46178493
N-butyl-2-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 50841354

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-phenylpyrimidine-4-carboxamide (CID 109353024) is 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-phenylpyrimidine-4-carboxamide is CN(C(=O)c1cc(N2CCN(c3ccccc3F)CC2)ncn1)c1ccccc1.
What is the InChIKey of 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is BRQKUHZRWVUZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O/c1-26(17-7-3-2-4-8-17)22(29)19-15-21(25-16-24-19)28-13-11-27(12-14-28)20-10-6-5-9-18(20)23/h2-10,15-16H,11-14H2,1H3.
What are the key properties of 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-phenylpyrimidine-4-carboxamide?
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-phenylpyrimidine-4-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109353024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).