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

C16H28N4S — CID 83045067

IUPAC2-methylsulfanyl-N-propyl-6-(2-propylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCCNc1cc(N2CCCCC2CCC)nc(SC)n1
InChIInChI=1S/C16H28N4S/c1-4-8-13-9-6-7-11-20(13)15-12-14(17-10-5-2)18-16(19-15)21-3/h12-13H,4-11H2,1-3H3,(H,17,18,19)
InChIKeyBHPPKIBYVRHXSZ-UHFFFAOYSA-N
MW308.50 g/mol
LogP4.18
Rot. Bonds7

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

2-methylsulfanyl-N-propyl-6-(2-propylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 83045067) has the molecular formula C16H28N4S and a molecular weight of 308.50 g/mol. Its IUPAC name is 2-methylsulfanyl-N-propyl-6-(2-propylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methylsulfanyl-N-propyl-6-(2-propylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID83045067
Molecular FormulaC16H28N4S
Molecular Weight308.50 g/mol
Exact Mass308.20
IUPAC Name2-methylsulfanyl-N-propyl-6-(2-propylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCCNc1cc(N2CCCCC2CCC)nc(SC)n1
InChIInChI=1S/C16H28N4S/c1-4-8-13-9-6-7-11-20(13)15-12-14(17-10-5-2)18-16(19-15)21-3/h12-13H,4-11H2,1-3H3,(H,17,18,19)
InChIKeyBHPPKIBYVRHXSZ-UHFFFAOYSA-N
XLogP4.18
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.50
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methylsulfanyl-N-propyl-6-(2-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

Related Compounds

[2-methylsulfanyl-6-(2-propylpiperidin-1-yl)pyrimidin-4-yl]hydrazine
CID 83056809
6-(2-methylpyrrolidin-1-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 80791344
2-[1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-2-yl]ethanol
CID 80766985
4-methyl-N-propyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine
CID 83056953
1-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674572
4-N-(3-cyclopentylpropyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 106014890
2-ethyl-6-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80933803
[2-cyclopropyl-6-(2-propylpiperidin-1-yl)pyrimidin-4-yl]hydrazine
CID 83056734
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 104961797
4-hydrazinyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine
CID 83057547
6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
CID 80765356
6-(2,2-dimethylmorpholin-4-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 80789621

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-propyl-6-(2-propylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-methylsulfanyl-N-propyl-6-(2-propylpiperidin-1-yl)pyrimidin-4-amine (CID 83045067) is 2-methylsulfanyl-N-propyl-6-(2-propylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-methylsulfanyl-N-propyl-6-(2-propylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-methylsulfanyl-N-propyl-6-(2-propylpiperidin-1-yl)pyrimidin-4-amine is CCCNc1cc(N2CCCCC2CCC)nc(SC)n1.
What is the InChIKey of 2-methylsulfanyl-N-propyl-6-(2-propylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is BHPPKIBYVRHXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4S/c1-4-8-13-9-6-7-11-20(13)15-12-14(17-10-5-2)18-16(19-15)21-3/h12-13H,4-11H2,1-3H3,(H,17,18,19).
What are the key properties of 2-methylsulfanyl-N-propyl-6-(2-propylpiperidin-1-yl)pyrimidin-4-amine?
2-methylsulfanyl-N-propyl-6-(2-propylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 308.50 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-propyl-6-(2-propylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 83045067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).