6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidine-4-carboxamide

C22H22FN5O — CID 109353022

IUPAC6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(N3CCN(c4ccccc4F)CC3)ncn2)c1
InChIInChI=1S/C22H22FN5O/c1-16-5-4-6-17(13-16)26-22(29)19-14-21(25-15-24-19)28-11-9-27(10-12-28)20-8-3-2-7-18(20)23/h2-8,13-15H,9-12H2,1H3,(H,26,29)
InChIKeyBDVCWJIHWRJOLQ-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.50
Rot. Bonds4

About 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidine-4-carboxamide

6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109353022) 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-(3-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109353022
Molecular FormulaC22H22FN5O
Molecular Weight391.45 g/mol
Exact Mass391.18
IUPAC Name6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(N3CCN(c4ccccc4F)CC3)ncn2)c1
InChIInChI=1S/C22H22FN5O/c1-16-5-4-6-17(13-16)26-22(29)19-14-21(25-15-24-19)28-11-9-27(10-12-28)20-8-3-2-7-18(20)23/h2-8,13-15H,9-12H2,1H3,(H,26,29)
InChIKeyBDVCWJIHWRJOLQ-UHFFFAOYSA-N
XLogP3.50
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109342025
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 771783
N-(3-acetamidophenyl)-6-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109345667
6-(4-benzylpiperazin-1-yl)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109352037
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109353024
6-(4-acetylpiperazin-1-yl)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109345988
N-(3-bromophenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 91628640
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine
CID 163351970
N-(3-acetylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 91628628
N-(3-bromophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342287
N-(3-fluorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109194372
6-methoxy-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 121167293

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidine-4-carboxamide (CID 109353022) is 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidine-4-carboxamide is Cc1cccc(NC(=O)c2cc(N3CCN(c4ccccc4F)CC3)ncn2)c1.
What is the InChIKey of 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is BDVCWJIHWRJOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O/c1-16-5-4-6-17(13-16)26-22(29)19-14-21(25-15-24-19)28-11-9-27(10-12-28)20-8-3-2-7-18(20)23/h2-8,13-15H,9-12H2,1H3,(H,26,29).
What are the key properties of 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidine-4-carboxamide?
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 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-(3-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109353022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).