2-methylsulfanyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine

C13H23N5S — CID 80807984

IUPAC2-methylsulfanyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine
SMILESCCCN1CCC(Nc2cc(N)nc(SC)n2)CC1
InChIInChI=1S/C13H23N5S/c1-3-6-18-7-4-10(5-8-18)15-12-9-11(14)16-13(17-12)19-2/h9-10H,3-8H2,1-2H3,(H3,14,15,16,17)
InChIKeyGEEAROOWDXJQQG-UHFFFAOYSA-N
MW281.43 g/mol
LogP2.07
Rot. Bonds5

About 2-methylsulfanyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine

2-methylsulfanyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine (PubChem CID 80807984) has the molecular formula C13H23N5S and a molecular weight of 281.43 g/mol. Its IUPAC name is 2-methylsulfanyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methylsulfanyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine
PubChem CID80807984
Molecular FormulaC13H23N5S
Molecular Weight281.43 g/mol
Exact Mass281.17
IUPAC Name2-methylsulfanyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine
SMILESCCCN1CCC(Nc2cc(N)nc(SC)n2)CC1
InChIInChI=1S/C13H23N5S/c1-3-6-18-7-4-10(5-8-18)15-12-9-11(14)16-13(17-12)19-2/h9-10H,3-8H2,1-2H3,(H3,14,15,16,17)
InChIKeyGEEAROOWDXJQQG-UHFFFAOYSA-N
XLogP2.07
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methylsulfanyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-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

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2-methylsulfanyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine (CID 80807984) is 2-methylsulfanyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-methylsulfanyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-methylsulfanyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine is CCCN1CCC(Nc2cc(N)nc(SC)n2)CC1.
What is the InChIKey of 2-methylsulfanyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine?
The InChIKey is GEEAROOWDXJQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5S/c1-3-6-18-7-4-10(5-8-18)15-12-9-11(14)16-13(17-12)19-2/h9-10H,3-8H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 2-methylsulfanyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine?
2-methylsulfanyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine has a molecular weight of 281.43 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80807984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).