4-N-(cyclobutylmethyl)-2-methylsulfanylpyrimidine-4,6-diamine

C10H16N4S — CID 80782716

IUPAC4-N-(cyclobutylmethyl)-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCSc1nc(N)cc(NCC2CCC2)n1
InChIInChI=1S/C10H16N4S/c1-15-10-13-8(11)5-9(14-10)12-6-7-3-2-4-7/h5,7H,2-4,6H2,1H3,(H3,11,12,13,14)
InChIKeyIKXVIJCGZBLLGI-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.99
Rot. Bonds4

About 4-N-(cyclobutylmethyl)-2-methylsulfanylpyrimidine-4,6-diamine

4-N-(cyclobutylmethyl)-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 80782716) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 4-N-(cyclobutylmethyl)-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(cyclobutylmethyl)-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID80782716
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name4-N-(cyclobutylmethyl)-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCSc1nc(N)cc(NCC2CCC2)n1
InChIInChI=1S/C10H16N4S/c1-15-10-13-8(11)5-9(14-10)12-6-7-3-2-4-7/h5,7H,2-4,6H2,1H3,(H3,11,12,13,14)
InChIKeyIKXVIJCGZBLLGI-UHFFFAOYSA-N
XLogP1.99
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(cyclobutylmethyl)-2-methylsulfanylpyrimidine-4,6-diamine 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 4-N-(cyclobutylmethyl)-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(cyclobutylmethyl)-2-methylsulfanylpyrimidine-4,6-diamine (CID 80782716) is 4-N-(cyclobutylmethyl)-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(cyclobutylmethyl)-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(cyclobutylmethyl)-2-methylsulfanylpyrimidine-4,6-diamine is CSc1nc(N)cc(NCC2CCC2)n1.
What is the InChIKey of 4-N-(cyclobutylmethyl)-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is IKXVIJCGZBLLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-15-10-13-8(11)5-9(14-10)12-6-7-3-2-4-7/h5,7H,2-4,6H2,1H3,(H3,11,12,13,14).
What are the key properties of 4-N-(cyclobutylmethyl)-2-methylsulfanylpyrimidine-4,6-diamine?
4-N-(cyclobutylmethyl)-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 224.33 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclobutylmethyl)-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80782716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).