(2-chloro-4-fluorophenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone

C22H20ClFN4O2 — CID 42473472

IUPAC(2-chloro-4-fluorophenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1nc(Oc2ccccc2)cc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1
InChIInChI=1S/C22H20ClFN4O2/c1-15-25-20(14-21(26-15)30-17-5-3-2-4-6-17)27-9-11-28(12-10-27)22(29)18-8-7-16(24)13-19(18)23/h2-8,13-14H,9-12H2,1H3
InChIKeyHZMZRPROVAMFIN-UHFFFAOYSA-N
MW426.88 g/mol
LogP4.33
Rot. Bonds4

About (2-chloro-4-fluorophenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone

(2-chloro-4-fluorophenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 42473472) has the molecular formula C22H20ClFN4O2 and a molecular weight of 426.88 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID42473472
Molecular FormulaC22H20ClFN4O2
Molecular Weight426.88 g/mol
Exact Mass426.13
IUPAC Name(2-chloro-4-fluorophenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1nc(Oc2ccccc2)cc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1
InChIInChI=1S/C22H20ClFN4O2/c1-15-25-20(14-21(26-15)30-17-5-3-2-4-6-17)27-9-11-28(12-10-27)22(29)18-8-7-16(24)13-19(18)23/h2-8,13-14H,9-12H2,1H3
InChIKeyHZMZRPROVAMFIN-UHFFFAOYSA-N
XLogP4.33
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.88
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-Chloro-6-fluorophenyl)(4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl)methanone
CID 42473264
(4-(6-Ethoxy-2-methylpyrimidin-4-yl)piperazin-1-yl)(4-methoxyphenyl)methanone
CID 42473279
(2,6-Difluorophenyl)(4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl)methanone
CID 42473437
(2,6-Difluorophenyl)(4-(2-methyl-6-(p-tolyloxy)pyrimidin-4-yl)piperazin-1-yl)methanone
CID 42473509
N-(2-chloro-4-fluorobenzyl)-1-(6-phenoxypyrimidin-4-yl)piperidine-4-carboxamide
CID 49663996
(2-Chloro-6-fluorophenyl)(4-(6-(4-methoxyphenyl)pyrimidin-4-yl)piperazin-1-yl)methanone
CID 56764810
4-(3,4-Difluorophenoxy)-6-[4-(4-methylbenzoyl)piperazin-1-YL]pyrimidine
CID 83288748
4-(3-Fluorophenoxy)-6-[4-(4-methylbenzoyl)piperazin-1-YL]pyrimidine
CID 83288749
4-(3,4-Difluorophenoxy)-6-[4-(2-methylbenzoyl)piperazin-1-YL]pyrimidine
CID 83289521
4-(4-Benzoylpiperazin-1-YL)-6-(3,4-difluorophenoxy)pyrimidine
CID 83290328
4-[4-(4-Chloro-2-methoxybenzoyl)piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine
CID 91892375
4-[4-(5-Chloro-2-methoxybenzoyl)piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine
CID 91892377

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone (CID 42473472) is (2-chloro-4-fluorophenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone is Cc1nc(Oc2ccccc2)cc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1.
What is the InChIKey of (2-chloro-4-fluorophenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is HZMZRPROVAMFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN4O2/c1-15-25-20(14-21(26-15)30-17-5-3-2-4-6-17)27-9-11-28(12-10-27)22(29)18-8-7-16(24)13-19(18)23/h2-8,13-14H,9-12H2,1H3.
What are the key properties of (2-chloro-4-fluorophenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone?
(2-chloro-4-fluorophenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 426.88 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 42473472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).