6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine

C15H16ClN3S — CID 80962940

IUPAC6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(Sc2ccccc2Cl)nc(C2CC2)n1
InChIInChI=1S/C15H16ClN3S/c1-2-17-13-9-14(19-15(18-13)10-7-8-10)20-12-6-4-3-5-11(12)16/h3-6,9-10H,2,7-8H2,1H3,(H,17,18,19)
InChIKeyPZEGQUHIILASCW-UHFFFAOYSA-N
MW305.83 g/mol
LogP4.59
Rot. Bonds5

About 6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine

6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine (PubChem CID 80962940) has the molecular formula C15H16ClN3S and a molecular weight of 305.83 g/mol. Its IUPAC name is 6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine
PubChem CID80962940
Molecular FormulaC15H16ClN3S
Molecular Weight305.83 g/mol
Exact Mass305.08
IUPAC Name6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(Sc2ccccc2Cl)nc(C2CC2)n1
InChIInChI=1S/C15H16ClN3S/c1-2-17-13-9-14(19-15(18-13)10-7-8-10)20-12-6-4-3-5-11(12)16/h3-6,9-10H,2,7-8H2,1H3,(H,17,18,19)
InChIKeyPZEGQUHIILASCW-UHFFFAOYSA-N
XLogP4.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine?
The IUPAC name of 6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine (CID 80962940) is 6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine?
The canonical SMILES for 6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine is CCNc1cc(Sc2ccccc2Cl)nc(C2CC2)n1.
What is the InChIKey of 6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine?
The InChIKey is PZEGQUHIILASCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3S/c1-2-17-13-9-14(19-15(18-13)10-7-8-10)20-12-6-4-3-5-11(12)16/h3-6,9-10H,2,7-8H2,1H3,(H,17,18,19).
What are the key properties of 6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine?
6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine has a molecular weight of 305.83 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 80962940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).