N-methyl-2-methylsulfanyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine

C14H24N4S — CID 80822489

IUPACN-methyl-2-methylsulfanyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCCC1CCN(c2cc(NC)nc(SC)n2)CC1
InChIInChI=1S/C14H24N4S/c1-4-5-11-6-8-18(9-7-11)13-10-12(15-2)16-14(17-13)19-3/h10-11H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyXVKHEEDZYKYTPX-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.26
Rot. Bonds5

About N-methyl-2-methylsulfanyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine

N-methyl-2-methylsulfanyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 80822489) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is N-methyl-2-methylsulfanyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-methylsulfanyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID80822489
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC NameN-methyl-2-methylsulfanyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCCC1CCN(c2cc(NC)nc(SC)n2)CC1
InChIInChI=1S/C14H24N4S/c1-4-5-11-6-8-18(9-7-11)13-10-12(15-2)16-14(17-13)19-3/h10-11H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyXVKHEEDZYKYTPX-UHFFFAOYSA-N
XLogP3.26
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-2-methylsulfanyl-6-(4-propylpiperidin-1-yl)pyrimidin-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

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfanyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-methyl-2-methylsulfanyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine (CID 80822489) is N-methyl-2-methylsulfanyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-methylsulfanyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-methylsulfanyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine is CCCC1CCN(c2cc(NC)nc(SC)n2)CC1.
What is the InChIKey of N-methyl-2-methylsulfanyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is XVKHEEDZYKYTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-4-5-11-6-8-18(9-7-11)13-10-12(15-2)16-14(17-13)19-3/h10-11H,4-9H2,1-3H3,(H,15,16,17).
What are the key properties of N-methyl-2-methylsulfanyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine?
N-methyl-2-methylsulfanyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 280.44 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfanyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80822489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).