1-[2-chloro-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine

C16H20ClN3S — CID 65040999

IUPAC1-[2-chloro-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine
SMILESCc1nc(Sc2cccc(Cl)c2CC(C)N)nc(C)c1C
InChIInChI=1S/C16H20ClN3S/c1-9(18)8-13-14(17)6-5-7-15(13)21-16-19-11(3)10(2)12(4)20-16/h5-7,9H,8,18H2,1-4H3
InChIKeyFBIZNTXLMMVOAP-UHFFFAOYSA-N
MW321.88 g/mol
LogP4.10
Rot. Bonds4

About 1-[2-chloro-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine

1-[2-chloro-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine (PubChem CID 65040999) has the molecular formula C16H20ClN3S and a molecular weight of 321.88 g/mol. Its IUPAC name is 1-[2-chloro-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-chloro-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine
PubChem CID65040999
Molecular FormulaC16H20ClN3S
Molecular Weight321.88 g/mol
Exact Mass321.11
IUPAC Name1-[2-chloro-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine
SMILESCc1nc(Sc2cccc(Cl)c2CC(C)N)nc(C)c1C
InChIInChI=1S/C16H20ClN3S/c1-9(18)8-13-14(17)6-5-7-15(13)21-16-19-11(3)10(2)12(4)20-16/h5-7,9H,8,18H2,1-4H3
InChIKeyFBIZNTXLMMVOAP-UHFFFAOYSA-N
XLogP4.10
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.88
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-chloro-6-(4-methylphenyl)sulfanylphenyl]propan-2-amine
CID 63818585
1-[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]propan-2-amine
CID 63819430
1-(2-chloro-6-pyrazin-2-ylsulfanylphenyl)propan-2-amine
CID 63818341
1-(2-butan-2-ylsulfanyl-6-chlorophenyl)propan-2-amine
CID 63835456
3-[2-(2-aminopropyl)-3-chlorophenyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 63817987
1-(2-chloro-6-cyclohexylsulfanylphenyl)propan-2-amine
CID 55238553
1-[2-fluoro-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]propan-2-amine
CID 114066525
[2-chloro-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine
CID 62497328
1-[2-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]propan-2-amine
CID 63815206
1-[2-chloro-6-(2-methylpropoxy)phenyl]propan-2-amine
CID 114321739
ethyl 2-[2-(2-aminopropyl)-3-chlorophenoxy]acetate
CID 114321887
1-(2-chloro-6-pyridin-2-ylsulfanylphenyl)butan-2-amine
CID 55239874

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine?
The IUPAC name of 1-[2-chloro-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine (CID 65040999) is 1-[2-chloro-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine.
What is the SMILES notation for 1-[2-chloro-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine?
The canonical SMILES for 1-[2-chloro-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine is Cc1nc(Sc2cccc(Cl)c2CC(C)N)nc(C)c1C.
What is the InChIKey of 1-[2-chloro-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine?
The InChIKey is FBIZNTXLMMVOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3S/c1-9(18)8-13-14(17)6-5-7-15(13)21-16-19-11(3)10(2)12(4)20-16/h5-7,9H,8,18H2,1-4H3.
What are the key properties of 1-[2-chloro-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine?
1-[2-chloro-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine has a molecular weight of 321.88 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine is sourced from PubChem (CID 65040999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).