4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidin-2-amine

C12H13N3OS — CID 80884012

IUPAC4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidin-2-amine
SMILESCOc1cccc(Sc2nc(N)ncc2C)c1
InChIInChI=1S/C12H13N3OS/c1-8-7-14-12(13)15-11(8)17-10-5-3-4-9(6-10)16-2/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyVBZARPIJMLOXIS-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.53
Rot. Bonds3

About 4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidin-2-amine

4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidin-2-amine (PubChem CID 80884012) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidin-2-amine
PubChem CID80884012
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidin-2-amine
SMILESCOc1cccc(Sc2nc(N)ncc2C)c1
InChIInChI=1S/C12H13N3OS/c1-8-7-14-12(13)15-11(8)17-10-5-3-4-9(6-10)16-2/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyVBZARPIJMLOXIS-UHFFFAOYSA-N
XLogP2.53
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxyphenyl)sulfanyl-5-methylpyrimidin-2-amine
CID 80883561
2-chloro-4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidine
CID 79073515
4-(3-chlorophenyl)sulfanyl-5-methylpyrimidin-2-amine
CID 80892674
2-(3-methoxyphenyl)sulfanyl-5-methylpyridin-3-amine
CID 66280907
3-(3-methoxyphenyl)sulfanylquinoxalin-2-amine
CID 102988705
6-(3-methoxyphenyl)sulfanyl-5-methylpyridine-3-carbaldehyde
CID 80640763
6-(3-methoxyphenyl)sulfanylpyrazin-2-amine
CID 80646798
2-methoxy-4-(3-methoxyphenyl)sulfanyl-1-methylbenzene
CID 18738972
6-(3-methoxyphenyl)sulfanylquinazoline-2,4-diamine
CID 626823
2-(3-methoxyphenyl)sulfanyl-7H-purine
CID 140979991
N'-hydroxy-2-(3-methoxyphenyl)sulfanylpyridine-3-carboximidamide
CID 43187698
2-ethoxy-6-(3-methoxyphenyl)sulfanylpyridin-3-amine
CID 43262702

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidin-2-amine?
The IUPAC name of 4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidin-2-amine (CID 80884012) is 4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidin-2-amine?
The canonical SMILES for 4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidin-2-amine is COc1cccc(Sc2nc(N)ncc2C)c1.
What is the InChIKey of 4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidin-2-amine?
The InChIKey is VBZARPIJMLOXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-8-7-14-12(13)15-11(8)17-10-5-3-4-9(6-10)16-2/h3-7H,1-2H3,(H2,13,14,15).
What are the key properties of 4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidin-2-amine?
4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidin-2-amine has a molecular weight of 247.32 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidin-2-amine is sourced from PubChem (CID 80884012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).