1-N-(6-methylsulfanylpyrimidin-4-yl)propane-1,2-diamine

C8H14N4S — CID 106973229

IUPAC1-N-(6-methylsulfanylpyrimidin-4-yl)propane-1,2-diamine
SMILESCSc1cc(NCC(C)N)ncn1
InChIInChI=1S/C8H14N4S/c1-6(9)4-10-7-3-8(13-2)12-5-11-7/h3,5-6H,4,9H2,1-2H3,(H,10,11,12)
InChIKeyOZDHPRZMWNORQZ-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.96
Rot. Bonds4

About 1-N-(6-methylsulfanylpyrimidin-4-yl)propane-1,2-diamine

1-N-(6-methylsulfanylpyrimidin-4-yl)propane-1,2-diamine (PubChem CID 106973229) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-N-(6-methylsulfanylpyrimidin-4-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(6-methylsulfanylpyrimidin-4-yl)propane-1,2-diamine
PubChem CID106973229
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name1-N-(6-methylsulfanylpyrimidin-4-yl)propane-1,2-diamine
SMILESCSc1cc(NCC(C)N)ncn1
InChIInChI=1S/C8H14N4S/c1-6(9)4-10-7-3-8(13-2)12-5-11-7/h3,5-6H,4,9H2,1-2H3,(H,10,11,12)
InChIKeyOZDHPRZMWNORQZ-UHFFFAOYSA-N
XLogP0.96
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-N-(6-methylsulfanylpyrimidin-4-yl)propane-1,2-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

N-(2-methylpropyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972533
N-(2,2-dicyclopropylethyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972899
6-methylsulfanyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 106973004
6-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 106972565
N-(4-bromopentan-2-yl)-6-methylsulfanylpyrimidin-4-amine
CID 106973796
N-(cyclopropylmethyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972538
6-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine
CID 106972535
1-N-(6-cyclopropylpyrimidin-4-yl)propane-1,2-diamine
CID 83830261
4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine
CID 80839408
2,2-dimethyl-3-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide
CID 106277817
6-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 106972699
3,3-dimethyl-4-[(6-methylsulfanylpyrimidin-4-yl)amino]butan-1-ol
CID 106144784

Frequently Asked Questions

What is the IUPAC name of 1-N-(6-methylsulfanylpyrimidin-4-yl)propane-1,2-diamine?
The IUPAC name of 1-N-(6-methylsulfanylpyrimidin-4-yl)propane-1,2-diamine (CID 106973229) is 1-N-(6-methylsulfanylpyrimidin-4-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(6-methylsulfanylpyrimidin-4-yl)propane-1,2-diamine?
The canonical SMILES for 1-N-(6-methylsulfanylpyrimidin-4-yl)propane-1,2-diamine is CSc1cc(NCC(C)N)ncn1.
What is the InChIKey of 1-N-(6-methylsulfanylpyrimidin-4-yl)propane-1,2-diamine?
The InChIKey is OZDHPRZMWNORQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-6(9)4-10-7-3-8(13-2)12-5-11-7/h3,5-6H,4,9H2,1-2H3,(H,10,11,12).
What are the key properties of 1-N-(6-methylsulfanylpyrimidin-4-yl)propane-1,2-diamine?
1-N-(6-methylsulfanylpyrimidin-4-yl)propane-1,2-diamine has a molecular weight of 198.29 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-methylsulfanylpyrimidin-4-yl)propane-1,2-diamine is sourced from PubChem (CID 106973229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).