(4-methylpiperazin-1-yl)-(4-methylpyrimidin-2-yl)methanone

C11H16N4O — CID 177203611

IUPAC(4-methylpiperazin-1-yl)-(4-methylpyrimidin-2-yl)methanone
SMILESCc1ccnc(C(=O)N2CCN(C)CC2)n1
InChIInChI=1S/C11H16N4O/c1-9-3-4-12-10(13-9)11(16)15-7-5-14(2)6-8-15/h3-4H,5-8H2,1-2H3
InChIKeyAJMRXVNHPKWKFW-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.17
Rot. Bonds1

About (4-methylpiperazin-1-yl)-(4-methylpyrimidin-2-yl)methanone

(4-methylpiperazin-1-yl)-(4-methylpyrimidin-2-yl)methanone (PubChem CID 177203611) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(4-methylpyrimidin-2-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(4-methylpyrimidin-2-yl)methanone
PubChem CID177203611
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name(4-methylpiperazin-1-yl)-(4-methylpyrimidin-2-yl)methanone
SMILESCc1ccnc(C(=O)N2CCN(C)CC2)n1
InChIInChI=1S/C11H16N4O/c1-9-3-4-12-10(13-9)11(16)15-7-5-14(2)6-8-15/h3-4H,5-8H2,1-2H3
InChIKeyAJMRXVNHPKWKFW-UHFFFAOYSA-N
XLogP0.17
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-methylpiperazin-1-yl)-(4-methylpyrimidin-2-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

Related Compounds

4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine
CID 15132532
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrochloride
CID 22152276
(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755354
2-(pyrrolidine-1-carbonyl)pyrimidine-4-carboxylic acid
CID 117212993
1-[4-[2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109302025
(4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 60634828
(4-methylpiperazin-1-yl)-pyridazin-4-ylmethanone
CID 112702155
(2-tert-butyl-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 4731355
(2-methoxy-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 110849835
N,4-dimethylpyrimidine-2-carboxamide
CID 127011220
(4-methylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone
CID 110695913
[2-(cyclopentylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109297855

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(4-methylpyrimidin-2-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(4-methylpyrimidin-2-yl)methanone (CID 177203611) is (4-methylpiperazin-1-yl)-(4-methylpyrimidin-2-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(4-methylpyrimidin-2-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(4-methylpyrimidin-2-yl)methanone is Cc1ccnc(C(=O)N2CCN(C)CC2)n1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(4-methylpyrimidin-2-yl)methanone?
The InChIKey is AJMRXVNHPKWKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-9-3-4-12-10(13-9)11(16)15-7-5-14(2)6-8-15/h3-4H,5-8H2,1-2H3.
What are the key properties of (4-methylpiperazin-1-yl)-(4-methylpyrimidin-2-yl)methanone?
(4-methylpiperazin-1-yl)-(4-methylpyrimidin-2-yl)methanone has a molecular weight of 220.28 g/mol, XLogP of 0.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(4-methylpyrimidin-2-yl)methanone is sourced from PubChem (CID 177203611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).