(2-chloro-6-fluorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C15H14ClFN4O — CID 2707486

IUPAC(2-chloro-6-fluorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1c(F)cccc1Cl)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H14ClFN4O/c16-11-3-1-4-12(17)13(11)14(22)20-7-9-21(10-8-20)15-18-5-2-6-19-15/h1-6H,7-10H2
InChIKeyNTCSKYQJUDFLAG-UHFFFAOYSA-N
MW320.75 g/mol
LogP2.23
Rot. Bonds2

About (2-chloro-6-fluorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(2-chloro-6-fluorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 2707486) has the molecular formula C15H14ClFN4O and a molecular weight of 320.75 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID2707486
Molecular FormulaC15H14ClFN4O
Molecular Weight320.75 g/mol
Exact Mass320.08
IUPAC Name(2-chloro-6-fluorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1c(F)cccc1Cl)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H14ClFN4O/c16-11-3-1-4-12(17)13(11)14(22)20-7-9-21(10-8-20)15-18-5-2-6-19-15/h1-6H,7-10H2
InChIKeyNTCSKYQJUDFLAG-UHFFFAOYSA-N
XLogP2.23
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 2707486) is (2-chloro-6-fluorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1c(F)cccc1Cl)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (2-chloro-6-fluorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is NTCSKYQJUDFLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN4O/c16-11-3-1-4-12(17)13(11)14(22)20-7-9-21(10-8-20)15-18-5-2-6-19-15/h1-6H,7-10H2.
What are the key properties of (2-chloro-6-fluorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(2-chloro-6-fluorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 320.75 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 2707486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).