[6-(oxan-4-yl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C19H23N5O2 — CID 146078438

IUPAC[6-(oxan-4-yl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc(C2CCOCC2)ncn1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H23N5O2/c25-19(17-13-16(21-14-22-17)15-4-11-26-12-5-15)24-9-7-23(8-10-24)18-3-1-2-6-20-18/h1-3,6,13-15H,4-5,7-12H2
InChIKeyGWPFYFGEBWTSNN-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.73
Rot. Bonds3

About [6-(oxan-4-yl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[6-(oxan-4-yl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 146078438) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is [6-(oxan-4-yl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(oxan-4-yl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID146078438
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name[6-(oxan-4-yl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc(C2CCOCC2)ncn1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H23N5O2/c25-19(17-13-16(21-14-22-17)15-4-11-26-12-5-15)24-9-7-23(8-10-24)18-3-1-2-6-20-18/h1-3,6,13-15H,4-5,7-12H2
InChIKeyGWPFYFGEBWTSNN-UHFFFAOYSA-N
XLogP1.73
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109345747
(5-morpholin-4-ylpyrazin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109276621
[2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365554
(4-pyridin-2-ylpiperazin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203865
morpholin-4-yl-[5-(4-pyridin-2-ylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109276440
[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203677
oxolan-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854828
[4-(3-methylpiperidin-1-yl)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109216212
[2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109364142
[2-(morpholine-4-carbonyl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109133323
[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 122335131
N-cyclopropyl-6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109093874

Frequently Asked Questions

What is the IUPAC name of [6-(oxan-4-yl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [6-(oxan-4-yl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 146078438) is [6-(oxan-4-yl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(oxan-4-yl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(oxan-4-yl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1cc(C2CCOCC2)ncn1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of [6-(oxan-4-yl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is GWPFYFGEBWTSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c25-19(17-13-16(21-14-22-17)15-4-11-26-12-5-15)24-9-7-23(8-10-24)18-3-1-2-6-20-18/h1-3,6,13-15H,4-5,7-12H2.
What are the key properties of [6-(oxan-4-yl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[6-(oxan-4-yl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 353.43 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(oxan-4-yl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 146078438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).