4-cyclopentylsulfanyl-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine

C14H20N6S — CID 80887756

IUPAC4-cyclopentylsulfanyl-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(SC2CCCC2)nc(-n2ccnc2)n1
InChIInChI=1S/C14H20N6S/c1-2-7-16-12-17-13(20-9-8-15-10-20)19-14(18-12)21-11-5-3-4-6-11/h8-11H,2-7H2,1H3,(H,16,17,18,19)
InChIKeyISNSGFVAVKLXCY-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.91
Rot. Bonds6

About 4-cyclopentylsulfanyl-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine

4-cyclopentylsulfanyl-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80887756) has the molecular formula C14H20N6S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-cyclopentylsulfanyl-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclopentylsulfanyl-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine
PubChem CID80887756
Molecular FormulaC14H20N6S
Molecular Weight304.42 g/mol
Exact Mass304.15
IUPAC Name4-cyclopentylsulfanyl-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(SC2CCCC2)nc(-n2ccnc2)n1
InChIInChI=1S/C14H20N6S/c1-2-7-16-12-17-13(20-9-8-15-10-20)19-14(18-12)21-11-5-3-4-6-11/h8-11H,2-7H2,1H3,(H,16,17,18,19)
InChIKeyISNSGFVAVKLXCY-UHFFFAOYSA-N
XLogP2.91
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

4-cyclopentylsulfanyl-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80887621
4-cyclopentyloxy-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine
CID 80844574
4-imidazol-1-yl-6-(2-methylpropylsulfanyl)-N-propyl-1,3,5-triazin-2-amine
CID 80893406
4-cyclopentylsulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 80888903
6-imidazol-1-yl-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80751147
2-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 80773574
3-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
CID 80832648
2-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 80773571
2-N-(2-cyclopentyloxyethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80818639
6-imidazol-1-yl-4-N-propyl-2-N-thiophen-3-yl-1,3,5-triazine-2,4-diamine
CID 80833674
4-but-3-yn-2-yloxy-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine
CID 106795382
2-N-(cyclobutylmethyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80783009

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfanyl-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclopentylsulfanyl-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine (CID 80887756) is 4-cyclopentylsulfanyl-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclopentylsulfanyl-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclopentylsulfanyl-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(SC2CCCC2)nc(-n2ccnc2)n1.
What is the InChIKey of 4-cyclopentylsulfanyl-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is ISNSGFVAVKLXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6S/c1-2-7-16-12-17-13(20-9-8-15-10-20)19-14(18-12)21-11-5-3-4-6-11/h8-11H,2-7H2,1H3,(H,16,17,18,19).
What are the key properties of 4-cyclopentylsulfanyl-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine?
4-cyclopentylsulfanyl-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 304.42 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylsulfanyl-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80887756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).