2-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine

C13H23N5 — CID 114516993

IUPAC2-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine
SMILESCNc1nccc(NCCC2CCN(C)CC2)n1
InChIInChI=1S/C13H23N5/c1-14-13-16-8-4-12(17-13)15-7-3-11-5-9-18(2)10-6-11/h4,8,11H,3,5-7,9-10H2,1-2H3,(H2,14,15,16,17)
InChIKeyFFPXQDQOLXWSSR-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.66
Rot. Bonds5

About 2-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine

2-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 114516993) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID114516993
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name2-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine
SMILESCNc1nccc(NCCC2CCN(C)CC2)n1
InChIInChI=1S/C13H23N5/c1-14-13-16-8-4-12(17-13)15-7-3-11-5-9-18(2)10-6-11/h4,8,11H,3,5-7,9-10H2,1-2H3,(H2,14,15,16,17)
InChIKeyFFPXQDQOLXWSSR-UHFFFAOYSA-N
XLogP1.66
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine 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-N-ethyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine
CID 114517041
4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 114516944
2-N-methyl-4-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 80811984
2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 114174041
N-[2-(1-methylpiperidin-4-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 114515997
5-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridin-2-amine
CID 114515987
6-[2-(1-methylpiperidin-4-yl)ethylamino]pyridine-2-carboxylic acid
CID 114515932
3-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazin-2-amine
CID 114516461
4-N-[(4-ethylcyclohexyl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80818859
2-N,2-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 64829485
4-N-[(1,1-dioxothiolan-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80822566
4-N-(2-cyclobutylethyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 115689924

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine (CID 114516993) is 2-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine is CNc1nccc(NCCC2CCN(C)CC2)n1.
What is the InChIKey of 2-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is FFPXQDQOLXWSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-14-13-16-8-4-12(17-13)15-7-3-11-5-9-18(2)10-6-11/h4,8,11H,3,5-7,9-10H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine?
2-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 249.36 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 114516993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).