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

C14H25N3S — CID 107765373

IUPAC5-ethyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine
SMILESCCCCCSc1ncnc(NCCC)c1CC
InChIInChI=1S/C14H25N3S/c1-4-7-8-10-18-14-12(6-3)13(15-9-5-2)16-11-17-14/h11H,4-10H2,1-3H3,(H,15,16,17)
InChIKeyVKSHRLQHURAXFK-UHFFFAOYSA-N
MW267.44 g/mol
LogP4.14
Rot. Bonds9

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

5-ethyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine (PubChem CID 107765373) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 5-ethyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine
PubChem CID107765373
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name5-ethyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine
SMILESCCCCCSc1ncnc(NCCC)c1CC
InChIInChI=1S/C14H25N3S/c1-4-7-8-10-18-14-12(6-3)13(15-9-5-2)16-11-17-14/h11H,4-10H2,1-3H3,(H,15,16,17)
InChIKeyVKSHRLQHURAXFK-UHFFFAOYSA-N
XLogP4.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine
CID 107765253
(5-ethyl-6-pentylsulfanylpyrimidin-4-yl)hydrazine
CID 107766209
5-ethyl-6-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-4-amine
CID 80883437
3-[5-methyl-6-(propylamino)pyrimidin-4-yl]sulfanylpropan-1-ol
CID 80890569
3-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylpropan-1-ol
CID 80890303
6-[2-(dimethylamino)ethylsulfanyl]-N,5-dipropylpyrimidin-4-amine
CID 80895521
4-butylsulfanyl-6-chloro-5-ethylpyrimidine
CID 63732711
2-[5-ethyl-6-(methylamino)pyrimidin-4-yl]sulfanylethanol
CID 80884568
5-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 104604989
6-ethylsulfanyl-5-methyl-N-propylpyrimidin-4-amine
CID 80887936
5-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80885817
5-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80895253

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine (CID 107765373) is 5-ethyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine is CCCCCSc1ncnc(NCCC)c1CC.
What is the InChIKey of 5-ethyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine?
The InChIKey is VKSHRLQHURAXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-4-7-8-10-18-14-12(6-3)13(15-9-5-2)16-11-17-14/h11H,4-10H2,1-3H3,(H,15,16,17).
What are the key properties of 5-ethyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine?
5-ethyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine has a molecular weight of 267.44 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 107765373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).