4-methoxy-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine

C14H18N6O — CID 146074342

IUPAC4-methoxy-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCN(c3ccnc(C)n3)CC2)n1
InChIInChI=1S/C14H18N6O/c1-11-15-5-3-12(17-11)19-7-9-20(10-8-19)14-16-6-4-13(18-14)21-2/h3-6H,7-10H2,1-2H3
InChIKeyPSTCBMHYXJLPQT-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.91
Rot. Bonds3

About 4-methoxy-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine

4-methoxy-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine (PubChem CID 146074342) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-methoxy-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
PubChem CID146074342
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name4-methoxy-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCN(c3ccnc(C)n3)CC2)n1
InChIInChI=1S/C14H18N6O/c1-11-15-5-3-12(17-11)19-7-9-20(10-8-19)14-16-6-4-13(18-14)21-2/h3-6H,7-10H2,1-2H3
InChIKeyPSTCBMHYXJLPQT-UHFFFAOYSA-N
XLogP0.91
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-2-[4-(2-methylpyrimidin-4-yl)piperazin-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

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-methoxy-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine (CID 146074342) is 4-methoxy-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-methoxy-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-methoxy-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine is COc1ccnc(N2CCN(c3ccnc(C)n3)CC2)n1.
What is the InChIKey of 4-methoxy-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine?
The InChIKey is PSTCBMHYXJLPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-11-15-5-3-12(17-11)19-7-9-20(10-8-19)14-16-6-4-13(18-14)21-2/h3-6H,7-10H2,1-2H3.
What are the key properties of 4-methoxy-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine?
4-methoxy-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine has a molecular weight of 286.34 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 146074342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).