(2-methylpyrimidin-5-yl)-(3-phenylpiperazin-1-yl)methanone

C16H18N4O — CID 72886763

IUPAC(2-methylpyrimidin-5-yl)-(3-phenylpiperazin-1-yl)methanone
SMILESCc1ncc(C(=O)N2CCNC(c3ccccc3)C2)cn1
InChIInChI=1S/C16H18N4O/c1-12-18-9-14(10-19-12)16(21)20-8-7-17-15(11-20)13-5-3-2-4-6-13/h2-6,9-10,15,17H,7-8,11H2,1H3
InChIKeyISBRPIJWMDOVPB-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.57
Rot. Bonds2

About (2-methylpyrimidin-5-yl)-(3-phenylpiperazin-1-yl)methanone

(2-methylpyrimidin-5-yl)-(3-phenylpiperazin-1-yl)methanone (PubChem CID 72886763) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is (2-methylpyrimidin-5-yl)-(3-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methylpyrimidin-5-yl)-(3-phenylpiperazin-1-yl)methanone
PubChem CID72886763
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name(2-methylpyrimidin-5-yl)-(3-phenylpiperazin-1-yl)methanone
SMILESCc1ncc(C(=O)N2CCNC(c3ccccc3)C2)cn1
InChIInChI=1S/C16H18N4O/c1-12-18-9-14(10-19-12)16(21)20-8-7-17-15(11-20)13-5-3-2-4-6-13/h2-6,9-10,15,17H,7-8,11H2,1H3
InChIKeyISBRPIJWMDOVPB-UHFFFAOYSA-N
XLogP1.57
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-methylpyrimidin-5-yl)-(3-phenylpiperazin-1-yl)methanone 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 (2-methylpyrimidin-5-yl)-(3-phenylpiperazin-1-yl)methanone?
The IUPAC name of (2-methylpyrimidin-5-yl)-(3-phenylpiperazin-1-yl)methanone (CID 72886763) is (2-methylpyrimidin-5-yl)-(3-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methylpyrimidin-5-yl)-(3-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methylpyrimidin-5-yl)-(3-phenylpiperazin-1-yl)methanone is Cc1ncc(C(=O)N2CCNC(c3ccccc3)C2)cn1.
What is the InChIKey of (2-methylpyrimidin-5-yl)-(3-phenylpiperazin-1-yl)methanone?
The InChIKey is ISBRPIJWMDOVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-12-18-9-14(10-19-12)16(21)20-8-7-17-15(11-20)13-5-3-2-4-6-13/h2-6,9-10,15,17H,7-8,11H2,1H3.
What are the key properties of (2-methylpyrimidin-5-yl)-(3-phenylpiperazin-1-yl)methanone?
(2-methylpyrimidin-5-yl)-(3-phenylpiperazin-1-yl)methanone has a molecular weight of 282.35 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrimidin-5-yl)-(3-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 72886763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).