2-(cyclopentylsulfanylmethyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine

C15H25N3S — CID 65140533

IUPAC2-(cyclopentylsulfanylmethyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(CSC2CCCC2)nc(C)c1C(C)C
InChIInChI=1S/C15H25N3S/c1-10(2)14-11(3)17-13(18-15(14)16-4)9-19-12-7-5-6-8-12/h10,12H,5-9H2,1-4H3,(H,16,17,18)
InChIKeyKGHOTZYBLFLIBP-UHFFFAOYSA-N
MW279.45 g/mol
LogP4.13
Rot. Bonds5

About 2-(cyclopentylsulfanylmethyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine

2-(cyclopentylsulfanylmethyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 65140533) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-(cyclopentylsulfanylmethyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(cyclopentylsulfanylmethyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID65140533
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name2-(cyclopentylsulfanylmethyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(CSC2CCCC2)nc(C)c1C(C)C
InChIInChI=1S/C15H25N3S/c1-10(2)14-11(3)17-13(18-15(14)16-4)9-19-12-7-5-6-8-12/h10,12H,5-9H2,1-4H3,(H,16,17,18)
InChIKeyKGHOTZYBLFLIBP-UHFFFAOYSA-N
XLogP4.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylsulfanylmethyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(cyclopentylsulfanylmethyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine (CID 65140533) is 2-(cyclopentylsulfanylmethyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(cyclopentylsulfanylmethyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(cyclopentylsulfanylmethyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine is CNc1nc(CSC2CCCC2)nc(C)c1C(C)C.
What is the InChIKey of 2-(cyclopentylsulfanylmethyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is KGHOTZYBLFLIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-10(2)14-11(3)17-13(18-15(14)16-4)9-19-12-7-5-6-8-12/h10,12H,5-9H2,1-4H3,(H,16,17,18).
What are the key properties of 2-(cyclopentylsulfanylmethyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine?
2-(cyclopentylsulfanylmethyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 279.45 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylsulfanylmethyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 65140533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).