4-[5-(4-methoxyphenyl)-3-pyridinyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine

C22H25N5O — CID 3653747

IUPAC4-[5-(4-methoxyphenyl)-3-pyridinyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
SMILESCOc1ccc(-c2cncc(-c3cc(N4CCN(C)CC4)nc(C)n3)c2)cc1
InChIInChI=1S/C22H25N5O/c1-16-24-21(13-22(25-16)27-10-8-26(2)9-11-27)19-12-18(14-23-15-19)17-4-6-20(28-3)7-5-17/h4-7,12-15H,8-11H2,1-3H3
InChIKeyXFKCMLWSFOFDSU-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.27
Rot. Bonds4

About 4-[5-(4-methoxyphenyl)-3-pyridinyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine

4-[5-(4-methoxyphenyl)-3-pyridinyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 3653747) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 4-[5-(4-methoxyphenyl)-3-pyridinyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-[5-(4-methoxyphenyl)-3-pyridinyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID3653747
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name4-[5-(4-methoxyphenyl)-3-pyridinyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
SMILESCOc1ccc(-c2cncc(-c3cc(N4CCN(C)CC4)nc(C)n3)c2)cc1
InChIInChI=1S/C22H25N5O/c1-16-24-21(13-22(25-16)27-10-8-26(2)9-11-27)19-12-18(14-23-15-19)17-4-6-20(28-3)7-5-17/h4-7,12-15H,8-11H2,1-3H3
InChIKeyXFKCMLWSFOFDSU-UHFFFAOYSA-N
XLogP3.27
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[5-(4-methoxyphenyl)-3-pyridinyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-(4-fluorophenyl)-3-pyridinyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
CID 4625280
4-[6-[5-(4-fluorophenyl)-3-pyridinyl]-2-methylpyrimidin-4-yl]morpholine
CID 5087194
ethyl 4-[6-[5-(4-fluorophenyl)-3-pyridinyl]-2-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 5058300
4-(6-methoxy-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 67302456
3-[[6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-methylpyrimidin-4-yl]amino]propanenitrile
CID 3701721
2-methyl-4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 3253525
(3,5-dimethoxyphenyl)-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122340967
N-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936317
(E)-3-(4-methoxyphenyl)-1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one
CID 108759826
4-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine
CID 1350768
(3S)-1-ethyl-3-[4-[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 7348191
6-methoxy-2-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]-1,3-benzothiazole
CID 108775283

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methoxyphenyl)-3-pyridinyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-[5-(4-methoxyphenyl)-3-pyridinyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine (CID 3653747) is 4-[5-(4-methoxyphenyl)-3-pyridinyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-[5-(4-methoxyphenyl)-3-pyridinyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-[5-(4-methoxyphenyl)-3-pyridinyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine is COc1ccc(-c2cncc(-c3cc(N4CCN(C)CC4)nc(C)n3)c2)cc1.
What is the InChIKey of 4-[5-(4-methoxyphenyl)-3-pyridinyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is XFKCMLWSFOFDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-16-24-21(13-22(25-16)27-10-8-26(2)9-11-27)19-12-18(14-23-15-19)17-4-6-20(28-3)7-5-17/h4-7,12-15H,8-11H2,1-3H3.
What are the key properties of 4-[5-(4-methoxyphenyl)-3-pyridinyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine?
4-[5-(4-methoxyphenyl)-3-pyridinyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine has a molecular weight of 375.48 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methoxyphenyl)-3-pyridinyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 3653747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).