N-propyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine

C13H23N3S — CID 65041377

IUPACN-propyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine
SMILESCCCNCC(C)Sc1nc(C)c(C)c(C)n1
InChIInChI=1S/C13H23N3S/c1-6-7-14-8-9(2)17-13-15-11(4)10(3)12(5)16-13/h9,14H,6-8H2,1-5H3
InChIKeyAQRYSRWCYFDWEU-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.88
Rot. Bonds6

About N-propyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine

N-propyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine (PubChem CID 65041377) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-propyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine.

Molecular Properties

Compound NameN-propyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine
PubChem CID65041377
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-propyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine
SMILESCCCNCC(C)Sc1nc(C)c(C)c(C)n1
InChIInChI=1S/C13H23N3S/c1-6-7-14-8-9(2)17-13-15-11(4)10(3)12(5)16-13/h9,14H,6-8H2,1-5H3
InChIKeyAQRYSRWCYFDWEU-UHFFFAOYSA-N
XLogP2.88
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-propyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-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

N-(2-methoxyethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine
CID 65041082
2-(4-methylphenyl)sulfanyl-N-propylpropan-1-amine
CID 62584456
2-methylsulfanyl-N-propylpropan-1-amine
CID 62581187
N-propyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylheptan-4-amine
CID 65041152
N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propyl]butan-1-amine
CID 102925919
N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propyl]pentan-1-amine
CID 102925906
2-methyl-2-(propan-2-ylamino)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentan-1-ol
CID 65040969
N-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylhexan-2-amine
CID 65041314
2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)-N-propylpropan-1-amine
CID 62757647
N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
CID 65043117
2-methyl-2-(propan-2-ylamino)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentanenitrile
CID 65043615
N-ethyl-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylheptan-4-amine
CID 65040959

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine?
The IUPAC name of N-propyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine (CID 65041377) is N-propyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine.
What is the SMILES notation for N-propyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine?
The canonical SMILES for N-propyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine is CCCNCC(C)Sc1nc(C)c(C)c(C)n1.
What is the InChIKey of N-propyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine?
The InChIKey is AQRYSRWCYFDWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-6-7-14-8-9(2)17-13-15-11(4)10(3)12(5)16-13/h9,14H,6-8H2,1-5H3.
What are the key properties of N-propyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine?
N-propyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine is sourced from PubChem (CID 65041377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).