5-(3-chloro-4-methoxyphenyl)-2-ethylsulfanyl-6-phenylpyrimidin-4-amine

C19H18ClN3OS — CID 69344212

IUPAC5-(3-chloro-4-methoxyphenyl)-2-ethylsulfanyl-6-phenylpyrimidin-4-amine
SMILESCCSc1nc(N)c(-c2ccc(OC)c(Cl)c2)c(-c2ccccc2)n1
InChIInChI=1S/C19H18ClN3OS/c1-3-25-19-22-17(12-7-5-4-6-8-12)16(18(21)23-19)13-9-10-15(24-2)14(20)11-13/h4-11H,3H2,1-2H3,(H2,21,22,23)
InChIKeyGJDXAHXOPPXSLG-UHFFFAOYSA-N
MW371.89 g/mol
LogP5.17
Rot. Bonds5

About 5-(3-chloro-4-methoxyphenyl)-2-ethylsulfanyl-6-phenylpyrimidin-4-amine

5-(3-chloro-4-methoxyphenyl)-2-ethylsulfanyl-6-phenylpyrimidin-4-amine (PubChem CID 69344212) has the molecular formula C19H18ClN3OS and a molecular weight of 371.89 g/mol. Its IUPAC name is 5-(3-chloro-4-methoxyphenyl)-2-ethylsulfanyl-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-chloro-4-methoxyphenyl)-2-ethylsulfanyl-6-phenylpyrimidin-4-amine
PubChem CID69344212
Molecular FormulaC19H18ClN3OS
Molecular Weight371.89 g/mol
Exact Mass371.09
IUPAC Name5-(3-chloro-4-methoxyphenyl)-2-ethylsulfanyl-6-phenylpyrimidin-4-amine
SMILESCCSc1nc(N)c(-c2ccc(OC)c(Cl)c2)c(-c2ccccc2)n1
InChIInChI=1S/C19H18ClN3OS/c1-3-25-19-22-17(12-7-5-4-6-8-12)16(18(21)23-19)13-9-10-15(24-2)14(20)11-13/h4-11H,3H2,1-2H3,(H2,21,22,23)
InChIKeyGJDXAHXOPPXSLG-UHFFFAOYSA-N
XLogP5.17
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.89
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(3-chloro-4-methoxyphenyl)phenyl]-2-ethylsulfanylpyrimidin-4-amine
CID 69354438
5-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyrimidine-2,4-diamine
CID 68647505
5-(3-chloro-4-methoxyphenyl)-4-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 68647736
4-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazol-3-amine
CID 82476965
2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile
CID 3116796
3,5-dichloro-6-(2,6-dimethoxyphenyl)pyridin-2-amine
CID 102753973
3,5-dichloro-6-(3,4-diethoxyphenyl)pyridin-2-amine
CID 102753063
2-[3-[5-amino-8-(3-chloro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]-8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146387214
4-chloro-2-(3-chloro-4-methoxyphenyl)quinoline
CID 18432969
5-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-4-amine
CID 82482114
4-(3-chloro-4-methoxyphenyl)-3-methyl-1,2-oxazol-5-amine
CID 82084136
2-chloro-5-(3-chloro-4-methoxyphenyl)aniline
CID 62908744

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methoxyphenyl)-2-ethylsulfanyl-6-phenylpyrimidin-4-amine?
The IUPAC name of 5-(3-chloro-4-methoxyphenyl)-2-ethylsulfanyl-6-phenylpyrimidin-4-amine (CID 69344212) is 5-(3-chloro-4-methoxyphenyl)-2-ethylsulfanyl-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 5-(3-chloro-4-methoxyphenyl)-2-ethylsulfanyl-6-phenylpyrimidin-4-amine?
The canonical SMILES for 5-(3-chloro-4-methoxyphenyl)-2-ethylsulfanyl-6-phenylpyrimidin-4-amine is CCSc1nc(N)c(-c2ccc(OC)c(Cl)c2)c(-c2ccccc2)n1.
What is the InChIKey of 5-(3-chloro-4-methoxyphenyl)-2-ethylsulfanyl-6-phenylpyrimidin-4-amine?
The InChIKey is GJDXAHXOPPXSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3OS/c1-3-25-19-22-17(12-7-5-4-6-8-12)16(18(21)23-19)13-9-10-15(24-2)14(20)11-13/h4-11H,3H2,1-2H3,(H2,21,22,23).
What are the key properties of 5-(3-chloro-4-methoxyphenyl)-2-ethylsulfanyl-6-phenylpyrimidin-4-amine?
5-(3-chloro-4-methoxyphenyl)-2-ethylsulfanyl-6-phenylpyrimidin-4-amine has a molecular weight of 371.89 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methoxyphenyl)-2-ethylsulfanyl-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 69344212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).