2-[(4-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone

C11H17N5O — CID 62958222

IUPAC2-[(4-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone
SMILESCc1ccnc(NCC(=O)N2CCNCC2)n1
InChIInChI=1S/C11H17N5O/c1-9-2-3-13-11(15-9)14-8-10(17)16-6-4-12-5-7-16/h2-3,12H,4-8H2,1H3,(H,13,14,15)
InChIKeyRYGWLEVNFTYSKP-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.37
Rot. Bonds3

About 2-[(4-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone

2-[(4-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone (PubChem CID 62958222) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[(4-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[(4-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone
PubChem CID62958222
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-[(4-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone
SMILESCc1ccnc(NCC(=O)N2CCNCC2)n1
InChIInChI=1S/C11H17N5O/c1-9-2-3-13-11(15-9)14-8-10(17)16-6-4-12-5-7-16/h2-3,12H,4-8H2,1H3,(H,13,14,15)
InChIKeyRYGWLEVNFTYSKP-UHFFFAOYSA-N
XLogP-0.37
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone 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

2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone
CID 112634766
4-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine
CID 62958220
2-[(3-methyl-2-pyridinyl)amino]-1-piperazin-1-ylethanone
CID 62255323
[4-[(4-methylpyrimidin-2-yl)amino]phenyl]-piperazin-1-ylmethanone
CID 142946306
4,6-dimethyl-2-[(2-oxo-2-piperazin-1-ylethyl)amino]pyridine-3-carboxylic acid
CID 61404479
2-[(4-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone
CID 113224733
6-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-2-carboxamide
CID 61177598
1-piperazin-1-yl-2-(quinolin-4-ylamino)ethanone
CID 61339914
2-[(3-methylsulfonyl-2-pyridinyl)amino]-1-piperazin-1-ylethanone
CID 114599217
2-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-4-carbonitrile
CID 107545115
4-[[(4-methylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid
CID 22135686
2-(2-hydroxyanilino)-1-piperazin-1-ylethanone
CID 82510539

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[(4-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone (CID 62958222) is 2-[(4-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[(4-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[(4-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone is Cc1ccnc(NCC(=O)N2CCNCC2)n1.
What is the InChIKey of 2-[(4-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone?
The InChIKey is RYGWLEVNFTYSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-9-2-3-13-11(15-9)14-8-10(17)16-6-4-12-5-7-16/h2-3,12H,4-8H2,1H3,(H,13,14,15).
What are the key properties of 2-[(4-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone?
2-[(4-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone has a molecular weight of 235.29 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpyrimidin-2-yl)amino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 62958222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).