6-cyclopentylsulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine

C14H23N3S — CID 80889840

IUPAC6-cyclopentylsulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C)nc(SC2CCCC2)c1C
InChIInChI=1S/C14H23N3S/c1-4-9-15-13-10(2)14(17-11(3)16-13)18-12-7-5-6-8-12/h12H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyLJYJXPTZJLUQOA-UHFFFAOYSA-N
MW265.43 g/mol
LogP3.95
Rot. Bonds5

About 6-cyclopentylsulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine

6-cyclopentylsulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine (PubChem CID 80889840) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 6-cyclopentylsulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopentylsulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine
PubChem CID80889840
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name6-cyclopentylsulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C)nc(SC2CCCC2)c1C
InChIInChI=1S/C14H23N3S/c1-4-9-15-13-10(2)14(17-11(3)16-13)18-12-7-5-6-8-12/h12H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyLJYJXPTZJLUQOA-UHFFFAOYSA-N
XLogP3.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-cyclopentylsulfanyl-2,5-dimethylpyrimidin-4-yl)hydrazine
CID 80929974
4-N-(2-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80790570
4-N-(1-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80835008
6-cyclopentylsulfanyl-N,5-dipropylpyrimidin-4-amine
CID 80889758
(6-cyclohexylsulfanyl-5-methyl-2-propylpyrimidin-4-yl)hydrazine
CID 81001237
6-(cyclopropylmethoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80865799
2,5-dimethyl-6-N-propyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine
CID 107298770
6-(4-fluorophenyl)sulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80882760
6-cyclopentylsulfanyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80889416
4-N-(cyclopentylmethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80994212
[6-(cyclopentylmethylsulfanyl)-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 80930091
6-(4-ethylazepan-1-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80823095

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentylsulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-cyclopentylsulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine (CID 80889840) is 6-cyclopentylsulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopentylsulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopentylsulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine is CCCNc1nc(C)nc(SC2CCCC2)c1C.
What is the InChIKey of 6-cyclopentylsulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine?
The InChIKey is LJYJXPTZJLUQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-4-9-15-13-10(2)14(17-11(3)16-13)18-12-7-5-6-8-12/h12H,4-9H2,1-3H3,(H,15,16,17).
What are the key properties of 6-cyclopentylsulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine?
6-cyclopentylsulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine has a molecular weight of 265.43 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentylsulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80889840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).