methyl 2-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetate

C12H18N4O2 — CID 142712818

IUPACmethyl 2-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetate
SMILESCOC(=O)Cc1ccnc(N2CCN(C)CC2)n1
InChIInChI=1S/C12H18N4O2/c1-15-5-7-16(8-6-15)12-13-4-3-10(14-12)9-11(17)18-2/h3-4H,5-9H2,1-2H3
InChIKeySRAOFMIZLUOMPG-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.06
Rot. Bonds3

About methyl 2-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetate

methyl 2-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetate (PubChem CID 142712818) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 2-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetate
PubChem CID142712818
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Namemethyl 2-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetate
SMILESCOC(=O)Cc1ccnc(N2CCN(C)CC2)n1
InChIInChI=1S/C12H18N4O2/c1-15-5-7-16(8-6-15)12-13-4-3-10(14-12)9-11(17)18-2/h3-4H,5-9H2,1-2H3
InChIKeySRAOFMIZLUOMPG-UHFFFAOYSA-N
XLogP-0.06
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetate 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 methyl 2-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetate?
The IUPAC name of methyl 2-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetate (CID 142712818) is methyl 2-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetate is COC(=O)Cc1ccnc(N2CCN(C)CC2)n1.
What is the InChIKey of methyl 2-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetate?
The InChIKey is SRAOFMIZLUOMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-15-5-7-16(8-6-15)12-13-4-3-10(14-12)9-11(17)18-2/h3-4H,5-9H2,1-2H3.
What are the key properties of methyl 2-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetate?
methyl 2-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetate has a molecular weight of 250.30 g/mol, XLogP of -0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetate is sourced from PubChem (CID 142712818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).