6-(2,5-dichlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine

C14H15Cl2N3S — CID 80989994

IUPAC6-(2,5-dichlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(Sc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C14H15Cl2N3S/c1-3-4-12-18-13(17)8(2)14(19-12)20-11-7-9(15)5-6-10(11)16/h5-7H,3-4H2,1-2H3,(H2,17,18,19)
InChIKeyXKAPTLMCFDYOKY-UHFFFAOYSA-N
MW328.27 g/mol
LogP4.78
Rot. Bonds4

About 6-(2,5-dichlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine

6-(2,5-dichlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 80989994) has the molecular formula C14H15Cl2N3S and a molecular weight of 328.27 g/mol. Its IUPAC name is 6-(2,5-dichlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,5-dichlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine
PubChem CID80989994
Molecular FormulaC14H15Cl2N3S
Molecular Weight328.27 g/mol
Exact Mass327.04
IUPAC Name6-(2,5-dichlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(Sc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C14H15Cl2N3S/c1-3-4-12-18-13(17)8(2)14(19-12)20-11-7-9(15)5-6-10(11)16/h5-7H,3-4H2,1-2H3,(H2,17,18,19)
InChIKeyXKAPTLMCFDYOKY-UHFFFAOYSA-N
XLogP4.78
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dichlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(2,5-dichlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine (CID 80989994) is 6-(2,5-dichlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,5-dichlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2,5-dichlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(N)c(C)c(Sc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 6-(2,5-dichlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is XKAPTLMCFDYOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3S/c1-3-4-12-18-13(17)8(2)14(19-12)20-11-7-9(15)5-6-10(11)16/h5-7H,3-4H2,1-2H3,(H2,17,18,19).
What are the key properties of 6-(2,5-dichlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine?
6-(2,5-dichlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 328.27 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dichlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80989994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).