6-(3-aminocyclobutyl)-4-N-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine

C12H21N5S — CID 91760611

IUPAC6-(3-aminocyclobutyl)-4-N-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
SMILESCSCCN(C)c1cc(C2CC(N)C2)nc(N)n1
InChIInChI=1S/C12H21N5S/c1-17(3-4-18-2)11-7-10(15-12(14)16-11)8-5-9(13)6-8/h7-9H,3-6,13H2,1-2H3,(H2,14,15,16)
InChIKeyPQWKROOJYPNONG-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.06
Rot. Bonds5

About 6-(3-aminocyclobutyl)-4-N-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine

6-(3-aminocyclobutyl)-4-N-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine (PubChem CID 91760611) has the molecular formula C12H21N5S and a molecular weight of 267.40 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-4-N-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-4-N-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
PubChem CID91760611
Molecular FormulaC12H21N5S
Molecular Weight267.40 g/mol
Exact Mass267.15
IUPAC Name6-(3-aminocyclobutyl)-4-N-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
SMILESCSCCN(C)c1cc(C2CC(N)C2)nc(N)n1
InChIInChI=1S/C12H21N5S/c1-17(3-4-18-2)11-7-10(15-12(14)16-11)8-5-9(13)6-8/h7-9H,3-6,13H2,1-2H3,(H2,14,15,16)
InChIKeyPQWKROOJYPNONG-UHFFFAOYSA-N
XLogP1.06
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(3-aminocyclobutyl)-4-N-methyl-4-N-(2-methylsulfanylethyl)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

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-4-N-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(3-aminocyclobutyl)-4-N-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine (CID 91760611) is 6-(3-aminocyclobutyl)-4-N-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-4-N-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(3-aminocyclobutyl)-4-N-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine is CSCCN(C)c1cc(C2CC(N)C2)nc(N)n1.
What is the InChIKey of 6-(3-aminocyclobutyl)-4-N-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine?
The InChIKey is PQWKROOJYPNONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5S/c1-17(3-4-18-2)11-7-10(15-12(14)16-11)8-5-9(13)6-8/h7-9H,3-6,13H2,1-2H3,(H2,14,15,16).
What are the key properties of 6-(3-aminocyclobutyl)-4-N-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine?
6-(3-aminocyclobutyl)-4-N-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine has a molecular weight of 267.40 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-4-N-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 91760611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).