4-N-cyclobutyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine

C10H16N4S — CID 80826920

IUPAC4-N-cyclobutyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCNc1cc(NC2CCC2)nc(SC)n1
InChIInChI=1S/C10H16N4S/c1-11-8-6-9(12-7-4-3-5-7)14-10(13-8)15-2/h6-7H,3-5H2,1-2H3,(H2,11,12,13,14)
InChIKeyDBRMWDFFYJMARX-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.20
Rot. Bonds4

About 4-N-cyclobutyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine

4-N-cyclobutyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 80826920) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 4-N-cyclobutyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclobutyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID80826920
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name4-N-cyclobutyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCNc1cc(NC2CCC2)nc(SC)n1
InChIInChI=1S/C10H16N4S/c1-11-8-6-9(12-7-4-3-5-7)14-10(13-8)15-2/h6-7H,3-5H2,1-2H3,(H2,11,12,13,14)
InChIKeyDBRMWDFFYJMARX-UHFFFAOYSA-N
XLogP2.20
TPSA49.84 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 ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclobutyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclobutyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine (CID 80826920) is 4-N-cyclobutyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclobutyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclobutyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine is CNc1cc(NC2CCC2)nc(SC)n1.
What is the InChIKey of 4-N-cyclobutyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is DBRMWDFFYJMARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-11-8-6-9(12-7-4-3-5-7)14-10(13-8)15-2/h6-7H,3-5H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 4-N-cyclobutyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine?
4-N-cyclobutyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 224.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclobutyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80826920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).