4-N-methylpyrimidine-4,5-diamine

C5H8N4 — CID 12523164

IUPAC4-N-methylpyrimidine-4,5-diamine
SMILESCNc1ncncc1N
InChIInChI=1S/C5H8N4/c1-7-5-4(6)2-8-3-9-5/h2-3H,6H2,1H3,(H,7,8,9)
InChIKeyKLPOQSPEGNLKIY-UHFFFAOYSA-N
MW124.15 g/mol
LogP0.10
Rot. Bonds1

About 4-N-methylpyrimidine-4,5-diamine

4-N-methylpyrimidine-4,5-diamine (PubChem CID 12523164) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is 4-N-methylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-methylpyrimidine-4,5-diamine
PubChem CID12523164
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name4-N-methylpyrimidine-4,5-diamine
SMILESCNc1ncncc1N
InChIInChI=1S/C5H8N4/c1-7-5-4(6)2-8-3-9-5/h2-3H,6H2,1H3,(H,7,8,9)
InChIKeyKLPOQSPEGNLKIY-UHFFFAOYSA-N
XLogP0.10
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-methylpyrimidine-4,5-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

N-(1-Methylethyl)-2-pyrimidinamine
CID 71169
Pyrimidin-5-amine
CID 344373
Pyrimidine-2,4,5-triamine
CID 148506
7H-Purin-8-ol
CID 229771
4,5-Diaminopyrimidine
CID 83703
2-Chloropyrimidine-4,5-diamine
CID 84565
Pyrimidine-2,5-diamine
CID 229075
N-methylpyrimidin-4-amine
CID 519971
7H-Purine-8-thiol
CID 4265275
5,6,7,8-Tetrahydropteridine
CID 156
4-(4-Methylpiperazin-1-yl)pyrimidine-2,5-diamine
CID 25130909
5-Amino-4-chloropyrimidine
CID 13404541

Frequently Asked Questions

What is the IUPAC name of 4-N-methylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-methylpyrimidine-4,5-diamine (CID 12523164) is 4-N-methylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-methylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-methylpyrimidine-4,5-diamine is CNc1ncncc1N.
What is the InChIKey of 4-N-methylpyrimidine-4,5-diamine?
The InChIKey is KLPOQSPEGNLKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c1-7-5-4(6)2-8-3-9-5/h2-3H,6H2,1H3,(H,7,8,9).
What are the key properties of 4-N-methylpyrimidine-4,5-diamine?
4-N-methylpyrimidine-4,5-diamine has a molecular weight of 124.15 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methylpyrimidine-4,5-diamine is sourced from PubChem (CID 12523164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).