2-(cyclopentylsulfanylmethyl)-N,5,6-trimethylpyrimidin-4-amine

C13H21N3S — CID 65140383

IUPAC2-(cyclopentylsulfanylmethyl)-N,5,6-trimethylpyrimidin-4-amine
SMILESCNc1nc(CSC2CCCC2)nc(C)c1C
InChIInChI=1S/C13H21N3S/c1-9-10(2)15-12(16-13(9)14-3)8-17-11-6-4-5-7-11/h11H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyLJWRXGQYWSCXCV-UHFFFAOYSA-N
MW251.40 g/mol
LogP3.31
Rot. Bonds4

About 2-(cyclopentylsulfanylmethyl)-N,5,6-trimethylpyrimidin-4-amine

2-(cyclopentylsulfanylmethyl)-N,5,6-trimethylpyrimidin-4-amine (PubChem CID 65140383) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 2-(cyclopentylsulfanylmethyl)-N,5,6-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(cyclopentylsulfanylmethyl)-N,5,6-trimethylpyrimidin-4-amine
PubChem CID65140383
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name2-(cyclopentylsulfanylmethyl)-N,5,6-trimethylpyrimidin-4-amine
SMILESCNc1nc(CSC2CCCC2)nc(C)c1C
InChIInChI=1S/C13H21N3S/c1-9-10(2)15-12(16-13(9)14-3)8-17-11-6-4-5-7-11/h11H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyLJWRXGQYWSCXCV-UHFFFAOYSA-N
XLogP3.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylsulfanylmethyl)-N,5,6-trimethylpyrimidin-4-amine?
The IUPAC name of 2-(cyclopentylsulfanylmethyl)-N,5,6-trimethylpyrimidin-4-amine (CID 65140383) is 2-(cyclopentylsulfanylmethyl)-N,5,6-trimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(cyclopentylsulfanylmethyl)-N,5,6-trimethylpyrimidin-4-amine?
The canonical SMILES for 2-(cyclopentylsulfanylmethyl)-N,5,6-trimethylpyrimidin-4-amine is CNc1nc(CSC2CCCC2)nc(C)c1C.
What is the InChIKey of 2-(cyclopentylsulfanylmethyl)-N,5,6-trimethylpyrimidin-4-amine?
The InChIKey is LJWRXGQYWSCXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-9-10(2)15-12(16-13(9)14-3)8-17-11-6-4-5-7-11/h11H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of 2-(cyclopentylsulfanylmethyl)-N,5,6-trimethylpyrimidin-4-amine?
2-(cyclopentylsulfanylmethyl)-N,5,6-trimethylpyrimidin-4-amine has a molecular weight of 251.40 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylsulfanylmethyl)-N,5,6-trimethylpyrimidin-4-amine is sourced from PubChem (CID 65140383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).