[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone

C21H21N5O2 — CID 90516875

IUPAC[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
SMILESCOc1ccc(-c2cc(N3CCN(C(=O)c4ccncc4)CC3)ncn2)cc1
InChIInChI=1S/C21H21N5O2/c1-28-18-4-2-16(3-5-18)19-14-20(24-15-23-19)25-10-12-26(13-11-25)21(27)17-6-8-22-9-7-17/h2-9,14-15H,10-13H2,1H3
InChIKeyQPJRNRSUDGMHLV-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.51
Rot. Bonds4

About [4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone

[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone (PubChem CID 90516875) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is [4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
PubChem CID90516875
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
SMILESCOc1ccc(-c2cc(N3CCN(C(=O)c4ccncc4)CC3)ncn2)cc1
InChIInChI=1S/C21H21N5O2/c1-28-18-4-2-16(3-5-18)19-14-20(24-15-23-19)25-10-12-26(13-11-25)21(27)17-6-8-22-9-7-17/h2-9,14-15H,10-13H2,1H3
InChIKeyQPJRNRSUDGMHLV-UHFFFAOYSA-N
XLogP2.51
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-tert-butylphenyl)-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 50840699
(3,5-dimethylphenyl)-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90516881
5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one
CID 90516890
[4-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl] acetate
CID 108736692
[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 121106852
(4-butoxyphenyl)-[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 121106904
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092
(4-tert-butylphenyl)-[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 121107033
6-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-2-methylpyridazin-3-one
CID 90516980
(6-ethoxypyrimidin-4-yl)-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 121167730
2-ethyl-1-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one
CID 90516855
5-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 90517045

Frequently Asked Questions

What is the IUPAC name of [4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone (CID 90516875) is [4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone is COc1ccc(-c2cc(N3CCN(C(=O)c4ccncc4)CC3)ncn2)cc1.
What is the InChIKey of [4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is QPJRNRSUDGMHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-28-18-4-2-16(3-5-18)19-14-20(24-15-23-19)25-10-12-26(13-11-25)21(27)17-6-8-22-9-7-17/h2-9,14-15H,10-13H2,1H3.
What are the key properties of [4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone?
[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 375.43 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 90516875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).