6-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine

C10H17N3S — CID 106972535

IUPAC6-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine
SMILESCCC(CC)Nc1cc(SC)ncn1
InChIInChI=1S/C10H17N3S/c1-4-8(5-2)13-9-6-10(14-3)12-7-11-9/h6-8H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyOOXAGIUFHZASHS-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.80
Rot. Bonds5

About 6-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine

6-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine (PubChem CID 106972535) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 6-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine
PubChem CID106972535
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name6-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine
SMILESCCC(CC)Nc1cc(SC)ncn1
InChIInChI=1S/C10H17N3S/c1-4-8(5-2)13-9-6-10(14-3)12-7-11-9/h6-8H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyOOXAGIUFHZASHS-UHFFFAOYSA-N
XLogP2.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine 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

3-[(6-methylsulfanylpyrimidin-4-yl)amino]pentan-1-ol
CID 106973053
N-(4-bromopentan-2-yl)-6-methylsulfanylpyrimidin-4-amine
CID 106973796
5,5-dimethyl-3-[(6-methylsulfanylpyrimidin-4-yl)amino]hexanoic acid
CID 106972354
6-methoxy-N-pentan-3-ylpyrimidin-4-amine
CID 66325775
N-(2-methylpropyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972533
N-(4-methoxybutan-2-yl)-6-methylsulfanylpyrimidin-4-amine
CID 106972875
1-N,1-N,3-trimethyl-2-N-(6-methylsulfanylpyrimidin-4-yl)butane-1,2-diamine
CID 106972725
1-N-(6-methylsulfanylpyrimidin-4-yl)propane-1,2-diamine
CID 106973229
N-(2-methylpropyl)-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide
CID 106972989
2-[(6-methylsulfanylpyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
CID 106972987
6-methylsulfanyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 106973004
2-ethyl-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propane-1,3-diol
CID 107866289

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine?
The IUPAC name of 6-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine (CID 106972535) is 6-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine.
What is the SMILES notation for 6-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine?
The canonical SMILES for 6-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine is CCC(CC)Nc1cc(SC)ncn1.
What is the InChIKey of 6-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine?
The InChIKey is OOXAGIUFHZASHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-4-8(5-2)13-9-6-10(14-3)12-7-11-9/h6-8H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of 6-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine?
6-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine has a molecular weight of 211.33 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine is sourced from PubChem (CID 106972535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).