2-(cyclopentylmethylsulfanyl)pyrimidine-4,6-diamine

C10H16N4S — CID 60778946

IUPAC2-(cyclopentylmethylsulfanyl)pyrimidine-4,6-diamine
SMILESNc1cc(N)nc(SCC2CCCC2)n1
InChIInChI=1S/C10H16N4S/c11-8-5-9(12)14-10(13-8)15-6-7-3-1-2-4-7/h5,7H,1-4,6H2,(H4,11,12,13,14)
InChIKeyXRQHFKQNPNFRLI-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.92
Rot. Bonds3

About 2-(cyclopentylmethylsulfanyl)pyrimidine-4,6-diamine

2-(cyclopentylmethylsulfanyl)pyrimidine-4,6-diamine (PubChem CID 60778946) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-(cyclopentylmethylsulfanyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(cyclopentylmethylsulfanyl)pyrimidine-4,6-diamine
PubChem CID60778946
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name2-(cyclopentylmethylsulfanyl)pyrimidine-4,6-diamine
SMILESNc1cc(N)nc(SCC2CCCC2)n1
InChIInChI=1S/C10H16N4S/c11-8-5-9(12)14-10(13-8)15-6-7-3-1-2-4-7/h5,7H,1-4,6H2,(H4,11,12,13,14)
InChIKeyXRQHFKQNPNFRLI-UHFFFAOYSA-N
XLogP1.92
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylsulfanyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-(cyclopentylmethylsulfanyl)pyrimidine-4,6-diamine (CID 60778946) is 2-(cyclopentylmethylsulfanyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-(cyclopentylmethylsulfanyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-(cyclopentylmethylsulfanyl)pyrimidine-4,6-diamine is Nc1cc(N)nc(SCC2CCCC2)n1.
What is the InChIKey of 2-(cyclopentylmethylsulfanyl)pyrimidine-4,6-diamine?
The InChIKey is XRQHFKQNPNFRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c11-8-5-9(12)14-10(13-8)15-6-7-3-1-2-4-7/h5,7H,1-4,6H2,(H4,11,12,13,14).
What are the key properties of 2-(cyclopentylmethylsulfanyl)pyrimidine-4,6-diamine?
2-(cyclopentylmethylsulfanyl)pyrimidine-4,6-diamine has a molecular weight of 224.33 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylsulfanyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 60778946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).