6-cyclopentyl-N-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine

C14H23N3S — CID 113390479

IUPAC6-cyclopentyl-N-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine
SMILESCCNc1cc(C2CCCC2)nc(CSCC)n1
InChIInChI=1S/C14H23N3S/c1-3-15-13-9-12(11-7-5-6-8-11)16-14(17-13)10-18-4-2/h9,11H,3-8,10H2,1-2H3,(H,15,16,17)
InChIKeyXTXJGZLSQRAPJX-UHFFFAOYSA-N
MW265.43 g/mol
LogP3.82
Rot. Bonds6

About 6-cyclopentyl-N-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine

6-cyclopentyl-N-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine (PubChem CID 113390479) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 6-cyclopentyl-N-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopentyl-N-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine
PubChem CID113390479
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name6-cyclopentyl-N-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine
SMILESCCNc1cc(C2CCCC2)nc(CSCC)n1
InChIInChI=1S/C14H23N3S/c1-3-15-13-9-12(11-7-5-6-8-11)16-14(17-13)10-18-4-2/h9,11H,3-8,10H2,1-2H3,(H,15,16,17)
InChIKeyXTXJGZLSQRAPJX-UHFFFAOYSA-N
XLogP3.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-N-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-cyclopentyl-N-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine (CID 113390479) is 6-cyclopentyl-N-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopentyl-N-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-cyclopentyl-N-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine is CCNc1cc(C2CCCC2)nc(CSCC)n1.
What is the InChIKey of 6-cyclopentyl-N-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine?
The InChIKey is XTXJGZLSQRAPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-3-15-13-9-12(11-7-5-6-8-11)16-14(17-13)10-18-4-2/h9,11H,3-8,10H2,1-2H3,(H,15,16,17).
What are the key properties of 6-cyclopentyl-N-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine?
6-cyclopentyl-N-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine has a molecular weight of 265.43 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-N-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 113390479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).