N-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylhexan-2-amine

C16H29N3S — CID 65041314

IUPACN-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylhexan-2-amine
SMILESCCCNC(C)CCCCSc1nc(C)c(C)c(C)n1
InChIInChI=1S/C16H29N3S/c1-6-10-17-12(2)9-7-8-11-20-16-18-14(4)13(3)15(5)19-16/h12,17H,6-11H2,1-5H3
InChIKeyJBBWUQDAPSBRRL-UHFFFAOYSA-N
MW295.50 g/mol
LogP4.05
Rot. Bonds9

About N-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylhexan-2-amine

N-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylhexan-2-amine (PubChem CID 65041314) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is N-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylhexan-2-amine.

Molecular Properties

Compound NameN-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylhexan-2-amine
PubChem CID65041314
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC NameN-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylhexan-2-amine
SMILESCCCNC(C)CCCCSc1nc(C)c(C)c(C)n1
InChIInChI=1S/C16H29N3S/c1-6-10-17-12(2)9-7-8-11-20-16-18-14(4)13(3)15(5)19-16/h12,17H,6-11H2,1-5H3
InChIKeyJBBWUQDAPSBRRL-UHFFFAOYSA-N
XLogP4.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylhexan-2-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-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylhexan-2-amine?
The IUPAC name of N-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylhexan-2-amine (CID 65041314) is N-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylhexan-2-amine.
What is the SMILES notation for N-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylhexan-2-amine?
The canonical SMILES for N-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylhexan-2-amine is CCCNC(C)CCCCSc1nc(C)c(C)c(C)n1.
What is the InChIKey of N-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylhexan-2-amine?
The InChIKey is JBBWUQDAPSBRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-6-10-17-12(2)9-7-8-11-20-16-18-14(4)13(3)15(5)19-16/h12,17H,6-11H2,1-5H3.
What are the key properties of N-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylhexan-2-amine?
N-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylhexan-2-amine has a molecular weight of 295.50 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylhexan-2-amine is sourced from PubChem (CID 65041314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).