4-(4-cyclopentylsulfanylphenyl)pyrimidin-2-amine

C15H17N3S — CID 96668185

IUPAC4-(4-cyclopentylsulfanylphenyl)pyrimidin-2-amine
SMILESNc1nccc(-c2ccc(SC3CCCC3)cc2)n1
InChIInChI=1S/C15H17N3S/c16-15-17-10-9-14(18-15)11-5-7-13(8-6-11)19-12-3-1-2-4-12/h5-10,12H,1-4H2,(H2,16,17,18)
InChIKeyRLZGKGQKSOQJQS-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.76
Rot. Bonds3

About 4-(4-cyclopentylsulfanylphenyl)pyrimidin-2-amine

4-(4-cyclopentylsulfanylphenyl)pyrimidin-2-amine (PubChem CID 96668185) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 4-(4-cyclopentylsulfanylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-cyclopentylsulfanylphenyl)pyrimidin-2-amine
PubChem CID96668185
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name4-(4-cyclopentylsulfanylphenyl)pyrimidin-2-amine
SMILESNc1nccc(-c2ccc(SC3CCCC3)cc2)n1
InChIInChI=1S/C15H17N3S/c16-15-17-10-9-14(18-15)11-5-7-13(8-6-11)19-12-3-1-2-4-12/h5-10,12H,1-4H2,(H2,16,17,18)
InChIKeyRLZGKGQKSOQJQS-UHFFFAOYSA-N
XLogP3.76
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopentylsulfanylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-cyclopentylsulfanylphenyl)pyrimidin-2-amine (CID 96668185) is 4-(4-cyclopentylsulfanylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-cyclopentylsulfanylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-cyclopentylsulfanylphenyl)pyrimidin-2-amine is Nc1nccc(-c2ccc(SC3CCCC3)cc2)n1.
What is the InChIKey of 4-(4-cyclopentylsulfanylphenyl)pyrimidin-2-amine?
The InChIKey is RLZGKGQKSOQJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c16-15-17-10-9-14(18-15)11-5-7-13(8-6-11)19-12-3-1-2-4-12/h5-10,12H,1-4H2,(H2,16,17,18).
What are the key properties of 4-(4-cyclopentylsulfanylphenyl)pyrimidin-2-amine?
4-(4-cyclopentylsulfanylphenyl)pyrimidin-2-amine has a molecular weight of 271.39 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopentylsulfanylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 96668185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).