5-methyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine

C13H23N3S — CID 107765253

IUPAC5-methyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine
SMILESCCCCCSc1ncnc(NCCC)c1C
InChIInChI=1S/C13H23N3S/c1-4-6-7-9-17-13-11(3)12(14-8-5-2)15-10-16-13/h10H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyKDPTWHYUZOIAJC-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.89
Rot. Bonds8

About 5-methyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine

5-methyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine (PubChem CID 107765253) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 5-methyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine
PubChem CID107765253
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name5-methyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine
SMILESCCCCCSc1ncnc(NCCC)c1C
InChIInChI=1S/C13H23N3S/c1-4-6-7-9-17-13-11(3)12(14-8-5-2)15-10-16-13/h10H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyKDPTWHYUZOIAJC-UHFFFAOYSA-N
XLogP3.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methyl-6-pentylsulfanyl-N-propylpyrimidin-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

3-[5-methyl-6-(propylamino)pyrimidin-4-yl]sulfanylpropan-1-ol
CID 80890569
5-ethyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine
CID 107765373
6-ethylsulfanyl-5-methyl-N-propylpyrimidin-4-amine
CID 80887936
5-methyl-6-pentoxy-N-propylpyrimidin-4-amine
CID 80866591
(5-ethyl-6-pentylsulfanylpyrimidin-4-yl)hydrazine
CID 107766209
6-N-ethyl-5-methyl-4-N-octylpyrimidine-4,6-diamine
CID 115565379
6-[2-(diethylamino)ethylsulfanyl]-N-ethyl-5-methylpyrimidin-4-amine
CID 80891443
5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 115384358
5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-4-amine
CID 80887595
6-[2-(dimethylamino)ethylsulfanyl]-N,5-dipropylpyrimidin-4-amine
CID 80895521
N-butyl-6-chloro-5-methylpyrimidin-4-amine
CID 63729913
5-methyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80767962

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-methyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine (CID 107765253) is 5-methyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-methyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-methyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine is CCCCCSc1ncnc(NCCC)c1C.
What is the InChIKey of 5-methyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine?
The InChIKey is KDPTWHYUZOIAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-4-6-7-9-17-13-11(3)12(14-8-5-2)15-10-16-13/h10H,4-9H2,1-3H3,(H,14,15,16).
What are the key properties of 5-methyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine?
5-methyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine has a molecular weight of 253.41 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 107765253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).