[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone

C20H19N5O — CID 56764803

IUPAC[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCN(c2cc(-c3ccccc3)ncn2)CC1
InChIInChI=1S/C20H19N5O/c26-20(17-8-4-5-9-21-17)25-12-10-24(11-13-25)19-14-18(22-15-23-19)16-6-2-1-3-7-16/h1-9,14-15H,10-13H2
InChIKeyZTCKXONXKUITTL-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.50
Rot. Bonds3

About [4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone

[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone (PubChem CID 56764803) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is [4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone
PubChem CID56764803
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCN(c2cc(-c3ccccc3)ncn2)CC1
InChIInChI=1S/C20H19N5O/c26-20(17-8-4-5-9-21-17)25-12-10-24(11-13-25)19-14-18(22-15-23-19)16-6-2-1-3-7-16/h1-9,14-15H,10-13H2
InChIKeyZTCKXONXKUITTL-UHFFFAOYSA-N
XLogP2.50
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromophenyl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 90516583
(3-bromophenyl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 90516750
cyclopropyl-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 90516549
[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 108736723
4-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide
CID 90516591
(2-nitrophenyl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56724560
[4-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl] acetate
CID 108736692
2-[4-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]isoindole-1,3-dione
CID 108759639
[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 121106852
(3-nitrophenyl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 90516584
[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 42110700
3-chloro-2,2-dimethyl-1-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 108759625

Frequently Asked Questions

What is the IUPAC name of [4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone (CID 56764803) is [4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCN(c2cc(-c3ccccc3)ncn2)CC1.
What is the InChIKey of [4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is ZTCKXONXKUITTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c26-20(17-8-4-5-9-21-17)25-12-10-24(11-13-25)19-14-18(22-15-23-19)16-6-2-1-3-7-16/h1-9,14-15H,10-13H2.
What are the key properties of [4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone?
[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 345.41 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 56764803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).