(2-chloro-6-fluorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone

C17H18ClFN4O2 — CID 42473264

IUPAC(2-chloro-6-fluorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCOc1cc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)nc(C)n1
InChIInChI=1S/C17H18ClFN4O2/c1-11-20-14(10-15(21-11)25-2)22-6-8-23(9-7-22)17(24)16-12(18)4-3-5-13(16)19/h3-5,10H,6-9H2,1-2H3
InChIKeySXBSGUYHKZJCNT-UHFFFAOYSA-N
MW364.81 g/mol
LogP2.55
Rot. Bonds3

About (2-chloro-6-fluorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone

(2-chloro-6-fluorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 42473264) has the molecular formula C17H18ClFN4O2 and a molecular weight of 364.81 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID42473264
Molecular FormulaC17H18ClFN4O2
Molecular Weight364.81 g/mol
Exact Mass364.11
IUPAC Name(2-chloro-6-fluorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCOc1cc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)nc(C)n1
InChIInChI=1S/C17H18ClFN4O2/c1-11-20-14(10-15(21-11)25-2)22-6-8-23(9-7-22)17(24)16-12(18)4-3-5-13(16)19/h3-5,10H,6-9H2,1-2H3
InChIKeySXBSGUYHKZJCNT-UHFFFAOYSA-N
XLogP2.55
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.81
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 42473264) is (2-chloro-6-fluorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone is COc1cc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)nc(C)n1.
What is the InChIKey of (2-chloro-6-fluorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is SXBSGUYHKZJCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN4O2/c1-11-20-14(10-15(21-11)25-2)22-6-8-23(9-7-22)17(24)16-12(18)4-3-5-13(16)19/h3-5,10H,6-9H2,1-2H3.
What are the key properties of (2-chloro-6-fluorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
(2-chloro-6-fluorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 364.81 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 42473264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).