2,5-diamino-6-[methyl(propyl)amino]-1H-pyrimidine-4-thione

C8H15N5S — CID 163829996

IUPAC2,5-diamino-6-[methyl(propyl)amino]-1H-pyrimidine-4-thione
SMILESCCCN(C)c1[nH]c(N)nc(=S)c1N
InChIInChI=1S/C8H15N5S/c1-3-4-13(2)6-5(9)7(14)12-8(10)11-6/h3-4,9H2,1-2H3,(H3,10,11,12,14)
InChIKeyOCWGYVZCBZZFRK-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.15
Rot. Bonds3

About 2,5-diamino-6-[methyl(propyl)amino]-1H-pyrimidine-4-thione

2,5-diamino-6-[methyl(propyl)amino]-1H-pyrimidine-4-thione (PubChem CID 163829996) has the molecular formula C8H15N5S and a molecular weight of 213.31 g/mol. Its IUPAC name is 2,5-diamino-6-[methyl(propyl)amino]-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2,5-diamino-6-[methyl(propyl)amino]-1H-pyrimidine-4-thione
PubChem CID163829996
Molecular FormulaC8H15N5S
Molecular Weight213.31 g/mol
Exact Mass213.10
IUPAC Name2,5-diamino-6-[methyl(propyl)amino]-1H-pyrimidine-4-thione
SMILESCCCN(C)c1[nH]c(N)nc(=S)c1N
InChIInChI=1S/C8H15N5S/c1-3-4-13(2)6-5(9)7(14)12-8(10)11-6/h3-4,9H2,1-2H3,(H3,10,11,12,14)
InChIKeyOCWGYVZCBZZFRK-UHFFFAOYSA-N
XLogP1.15
TPSA83.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2,5-diamino-6-[methyl(propyl)amino]-1H-pyrimidine-4-thione 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 2,5-diamino-6-[methyl(propyl)amino]-1H-pyrimidine-4-thione?
The IUPAC name of 2,5-diamino-6-[methyl(propyl)amino]-1H-pyrimidine-4-thione (CID 163829996) is 2,5-diamino-6-[methyl(propyl)amino]-1H-pyrimidine-4-thione.
What is the SMILES notation for 2,5-diamino-6-[methyl(propyl)amino]-1H-pyrimidine-4-thione?
The canonical SMILES for 2,5-diamino-6-[methyl(propyl)amino]-1H-pyrimidine-4-thione is CCCN(C)c1[nH]c(N)nc(=S)c1N.
What is the InChIKey of 2,5-diamino-6-[methyl(propyl)amino]-1H-pyrimidine-4-thione?
The InChIKey is OCWGYVZCBZZFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5S/c1-3-4-13(2)6-5(9)7(14)12-8(10)11-6/h3-4,9H2,1-2H3,(H3,10,11,12,14).
What are the key properties of 2,5-diamino-6-[methyl(propyl)amino]-1H-pyrimidine-4-thione?
2,5-diamino-6-[methyl(propyl)amino]-1H-pyrimidine-4-thione has a molecular weight of 213.31 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-6-[methyl(propyl)amino]-1H-pyrimidine-4-thione is sourced from PubChem (CID 163829996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).