6-(3-chlorophenyl)sulfanyl-5-ethyl-N-propylpyrimidin-4-amine

C15H18ClN3S — CID 80891845

IUPAC6-(3-chlorophenyl)sulfanyl-5-ethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(Sc2cccc(Cl)c2)c1CC
InChIInChI=1S/C15H18ClN3S/c1-3-8-17-14-13(4-2)15(19-10-18-14)20-12-7-5-6-11(16)9-12/h5-7,9-10H,3-4,8H2,1-2H3,(H,17,18,19)
InChIKeyVLAMTOTWMVCVEH-UHFFFAOYSA-N
MW307.85 g/mol
LogP4.67
Rot. Bonds6

About 6-(3-chlorophenyl)sulfanyl-5-ethyl-N-propylpyrimidin-4-amine

6-(3-chlorophenyl)sulfanyl-5-ethyl-N-propylpyrimidin-4-amine (PubChem CID 80891845) has the molecular formula C15H18ClN3S and a molecular weight of 307.85 g/mol. Its IUPAC name is 6-(3-chlorophenyl)sulfanyl-5-ethyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-chlorophenyl)sulfanyl-5-ethyl-N-propylpyrimidin-4-amine
PubChem CID80891845
Molecular FormulaC15H18ClN3S
Molecular Weight307.85 g/mol
Exact Mass307.09
IUPAC Name6-(3-chlorophenyl)sulfanyl-5-ethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(Sc2cccc(Cl)c2)c1CC
InChIInChI=1S/C15H18ClN3S/c1-3-8-17-14-13(4-2)15(19-10-18-14)20-12-7-5-6-11(16)9-12/h5-7,9-10H,3-4,8H2,1-2H3,(H,17,18,19)
InChIKeyVLAMTOTWMVCVEH-UHFFFAOYSA-N
XLogP4.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-chlorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine
CID 80891542
6-(3-chlorophenoxy)-5-ethyl-N-propylpyrimidin-4-amine
CID 80869356
6-(3-chlorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine
CID 80891996
6-(3,4-difluorophenyl)sulfanyl-N,5-diethylpyrimidin-4-amine
CID 80887870
5-ethyl-N-methyl-6-phenylsulfanylpyrimidin-4-amine
CID 80887845
5-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80895253
5-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 104604989
5-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80885817
5-ethyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine
CID 107765373
4-N-[(4-chlorophenyl)methyl]-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80750556
5-ethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80892174
6-(3-chloro-4-methylphenyl)-5-ethyl-N-propylpyrimidin-4-amine
CID 115504253

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)sulfanyl-5-ethyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(3-chlorophenyl)sulfanyl-5-ethyl-N-propylpyrimidin-4-amine (CID 80891845) is 6-(3-chlorophenyl)sulfanyl-5-ethyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-chlorophenyl)sulfanyl-5-ethyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3-chlorophenyl)sulfanyl-5-ethyl-N-propylpyrimidin-4-amine is CCCNc1ncnc(Sc2cccc(Cl)c2)c1CC.
What is the InChIKey of 6-(3-chlorophenyl)sulfanyl-5-ethyl-N-propylpyrimidin-4-amine?
The InChIKey is VLAMTOTWMVCVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3S/c1-3-8-17-14-13(4-2)15(19-10-18-14)20-12-7-5-6-11(16)9-12/h5-7,9-10H,3-4,8H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(3-chlorophenyl)sulfanyl-5-ethyl-N-propylpyrimidin-4-amine?
6-(3-chlorophenyl)sulfanyl-5-ethyl-N-propylpyrimidin-4-amine has a molecular weight of 307.85 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)sulfanyl-5-ethyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80891845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).