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

C12H13N3OS — CID 80883561

IUPAC4-(4-methoxyphenyl)sulfanyl-5-methylpyrimidin-2-amine
SMILESCOc1ccc(Sc2nc(N)ncc2C)cc1
InChIInChI=1S/C12H13N3OS/c1-8-7-14-12(13)15-11(8)17-10-5-3-9(16-2)4-6-10/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyZFADGYJWOSSUDJ-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.53
Rot. Bonds3

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

4-(4-methoxyphenyl)sulfanyl-5-methylpyrimidin-2-amine (PubChem CID 80883561) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfanyl-5-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfanyl-5-methylpyrimidin-2-amine
PubChem CID80883561
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name4-(4-methoxyphenyl)sulfanyl-5-methylpyrimidin-2-amine
SMILESCOc1ccc(Sc2nc(N)ncc2C)cc1
InChIInChI=1S/C12H13N3OS/c1-8-7-14-12(13)15-11(8)17-10-5-3-9(16-2)4-6-10/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyZFADGYJWOSSUDJ-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-(3-methoxyphenyl)sulfanyl-5-methylpyrimidin-2-amine
CID 80884012
4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-methylpyrimidin-2-amine
CID 80893867
4-(3-chlorophenyl)sulfanyl-5-methylpyrimidin-2-amine
CID 80892674
5-(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpyrazin-2-amine
CID 66848885
5-(2-chloro-5-methylpyrimidin-4-yl)sulfanylpyrimidin-2-amine
CID 89255962
2-chloro-4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidine
CID 79073515
4-(4-methoxyphenyl)sulfanyl-2-methylaniline
CID 43436441
2-(4-methoxyphenyl)sulfanyl-1,3,5-trimethylbenzene
CID 13052775
2-tert-butyl-6-(4-methoxyphenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80991175
5-bromo-4-(4-bromophenyl)sulfanylpyrimidin-2-amine
CID 80893259
5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 106928532
3-amino-2-(4-methoxyphenyl)sulfanylpyridine-4-carbonitrile
CID 82812797

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfanyl-5-methylpyrimidin-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)sulfanyl-5-methylpyrimidin-2-amine (CID 80883561) is 4-(4-methoxyphenyl)sulfanyl-5-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfanyl-5-methylpyrimidin-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)sulfanyl-5-methylpyrimidin-2-amine is COc1ccc(Sc2nc(N)ncc2C)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfanyl-5-methylpyrimidin-2-amine?
The InChIKey is ZFADGYJWOSSUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-8-7-14-12(13)15-11(8)17-10-5-3-9(16-2)4-6-10/h3-7H,1-2H3,(H2,13,14,15).
What are the key properties of 4-(4-methoxyphenyl)sulfanyl-5-methylpyrimidin-2-amine?
4-(4-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-(4-methoxyphenyl)sulfanyl-5-methylpyrimidin-2-amine is sourced from PubChem (CID 80883561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).