6-cyclopentylsulfanyl-N,5-dipropylpyrimidin-4-amine

C15H25N3S — CID 80889758

IUPAC6-cyclopentylsulfanyl-N,5-dipropylpyrimidin-4-amine
SMILESCCCNc1ncnc(SC2CCCC2)c1CCC
InChIInChI=1S/C15H25N3S/c1-3-7-13-14(16-10-4-2)17-11-18-15(13)19-12-8-5-6-9-12/h11-12H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyOKYRVYLTGYKHFN-UHFFFAOYSA-N
MW279.45 g/mol
LogP4.29
Rot. Bonds7

About 6-cyclopentylsulfanyl-N,5-dipropylpyrimidin-4-amine

6-cyclopentylsulfanyl-N,5-dipropylpyrimidin-4-amine (PubChem CID 80889758) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 6-cyclopentylsulfanyl-N,5-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopentylsulfanyl-N,5-dipropylpyrimidin-4-amine
PubChem CID80889758
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name6-cyclopentylsulfanyl-N,5-dipropylpyrimidin-4-amine
SMILESCCCNc1ncnc(SC2CCCC2)c1CCC
InChIInChI=1S/C15H25N3S/c1-3-7-13-14(16-10-4-2)17-11-18-15(13)19-12-8-5-6-9-12/h11-12H,3-10H2,1-2H3,(H,16,17,18)
InChIKeyOKYRVYLTGYKHFN-UHFFFAOYSA-N
XLogP4.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclohexylsulfanyl-5-nitro-N-propylpyrimidin-4-amine
CID 80886211
4-N-cyclopentyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80770351
6-cyclopentylsulfanyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80889416
4-N-cycloheptyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80771825
4-N-(cyclohexylmethyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80771503
2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80800343
4-N-(2-cyclopentyloxyethyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80819121
[6-(cyclopentylmethylsulfanyl)-5-propylpyrimidin-4-yl]hydrazine
CID 80928958
6-[2-(dimethylamino)ethylsulfanyl]-N,5-dipropylpyrimidin-4-amine
CID 80895521
5-ethyl-6-(2-methyloxolan-3-yl)sulfanyl-N-propylpyrimidin-4-amine
CID 107765164
6-cyclopentylsulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80889840
6-(2-methylpiperidin-1-yl)-N,5-dipropylpyrimidin-4-amine
CID 80766937

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentylsulfanyl-N,5-dipropylpyrimidin-4-amine?
The IUPAC name of 6-cyclopentylsulfanyl-N,5-dipropylpyrimidin-4-amine (CID 80889758) is 6-cyclopentylsulfanyl-N,5-dipropylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopentylsulfanyl-N,5-dipropylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopentylsulfanyl-N,5-dipropylpyrimidin-4-amine is CCCNc1ncnc(SC2CCCC2)c1CCC.
What is the InChIKey of 6-cyclopentylsulfanyl-N,5-dipropylpyrimidin-4-amine?
The InChIKey is OKYRVYLTGYKHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-3-7-13-14(16-10-4-2)17-11-18-15(13)19-12-8-5-6-9-12/h11-12H,3-10H2,1-2H3,(H,16,17,18).
What are the key properties of 6-cyclopentylsulfanyl-N,5-dipropylpyrimidin-4-amine?
6-cyclopentylsulfanyl-N,5-dipropylpyrimidin-4-amine has a molecular weight of 279.45 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentylsulfanyl-N,5-dipropylpyrimidin-4-amine is sourced from PubChem (CID 80889758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).