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

C11H18N4S — CID 80826222

IUPAC4-N-cyclobutyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCCNc1cc(NC2CCC2)nc(SC)n1
InChIInChI=1S/C11H18N4S/c1-3-12-9-7-10(13-8-5-4-6-8)15-11(14-9)16-2/h7-8H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyNDDOAKATDYSXKU-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.59
Rot. Bonds5

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

4-N-cyclobutyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 80826222) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 4-N-cyclobutyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclobutyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID80826222
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name4-N-cyclobutyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCCNc1cc(NC2CCC2)nc(SC)n1
InChIInChI=1S/C11H18N4S/c1-3-12-9-7-10(13-8-5-4-6-8)15-11(14-9)16-2/h7-8H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyNDDOAKATDYSXKU-UHFFFAOYSA-N
XLogP2.59
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-cyclobutyl-6-N-ethyl-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

Related Compounds

4-N-cyclobutyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80826920
4-N-(3,5-dimethylcyclohexyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80840347
4-N-(3,4-dimethylcyclohexyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80841556
6-N-ethyl-4-N-(2-methoxycyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80817326
6-cyclohexyloxy-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80858375
4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]pyrrolidin-2-one
CID 114157084
4-N-cyclooctyl-6-N,2-diethylpyrimidine-4,6-diamine
CID 80933432
N-cyclohexyl-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80931790
4-N-(1-methylpiperidin-4-yl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80784078
4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80766375
N-ethyl-6-(3-methylcyclohexyl)oxy-2-methylsulfanylpyrimidin-4-amine
CID 80860868
4-N-[(1,1-dioxothiolan-2-yl)methyl]-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 81046764

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclobutyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclobutyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine (CID 80826222) is 4-N-cyclobutyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclobutyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclobutyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine is CCNc1cc(NC2CCC2)nc(SC)n1.
What is the InChIKey of 4-N-cyclobutyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is NDDOAKATDYSXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-3-12-9-7-10(13-8-5-4-6-8)15-11(14-9)16-2/h7-8H,3-6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-N-cyclobutyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine?
4-N-cyclobutyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 238.36 g/mol, XLogP of 2.59, 5 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-ethyl-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80826222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).