(4-anilino-2-methylsulfanylpyrimidin-5-yl)methanol

C12H13N3OS — CID 10681947

IUPAC(4-anilino-2-methylsulfanylpyrimidin-5-yl)methanol
SMILESCSc1ncc(CO)c(Nc2ccccc2)n1
InChIInChI=1S/C12H13N3OS/c1-17-12-13-7-9(8-16)11(15-12)14-10-5-3-2-4-6-10/h2-7,16H,8H2,1H3,(H,13,14,15)
InChIKeyVKKVBYUUQXHFNY-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.43
Rot. Bonds4

About (4-anilino-2-methylsulfanylpyrimidin-5-yl)methanol

(4-anilino-2-methylsulfanylpyrimidin-5-yl)methanol (PubChem CID 10681947) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is (4-anilino-2-methylsulfanylpyrimidin-5-yl)methanol.

Molecular Properties

Compound Name(4-anilino-2-methylsulfanylpyrimidin-5-yl)methanol
PubChem CID10681947
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name(4-anilino-2-methylsulfanylpyrimidin-5-yl)methanol
SMILESCSc1ncc(CO)c(Nc2ccccc2)n1
InChIInChI=1S/C12H13N3OS/c1-17-12-13-7-9(8-16)11(15-12)14-10-5-3-2-4-6-10/h2-7,16H,8H2,1H3,(H,13,14,15)
InChIKeyVKKVBYUUQXHFNY-UHFFFAOYSA-N
XLogP2.43
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-ethoxyanilino)-2-methylsulfanylpyrimidin-5-yl]methanol
CID 28905124
ethyl 2-[3-[[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]amino]phenyl]acetate
CID 141021256
4-anilino-2-methylsulfanylpyrimidine-5-carboxylic acid;hydrofluoride
CID 70926607
CID 173112578
CID 173112578
[4-(butylamino)-2-methylsulfanylpyrimidin-5-yl]methanol
CID 10656911
(2R)-1-[[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]amino]propan-2-ol
CID 59681451
1-[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]-3-(2-methoxyphenyl)urea
CID 142058599
[4-[(3-amino-2-methylpropyl)amino]-2-methylsulfanylpyrimidin-5-yl]methanol;ethane
CID 164925715
5-[(benzylamino)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 171500496
5-ethyl-6-fluoro-2-methylsulfanyl-N-phenylpyrimidin-4-amine
CID 14461172
ethyl 3-(4-anilino-2-methylsulfanylpyrimidin-5-yl)-2-cyano-3-oxopropanoate
CID 171546889
3-[[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]amino]-2-methylcyclohexan-1-ol
CID 138457357

Frequently Asked Questions

What is the IUPAC name of (4-anilino-2-methylsulfanylpyrimidin-5-yl)methanol?
The IUPAC name of (4-anilino-2-methylsulfanylpyrimidin-5-yl)methanol (CID 10681947) is (4-anilino-2-methylsulfanylpyrimidin-5-yl)methanol.
What is the SMILES notation for (4-anilino-2-methylsulfanylpyrimidin-5-yl)methanol?
The canonical SMILES for (4-anilino-2-methylsulfanylpyrimidin-5-yl)methanol is CSc1ncc(CO)c(Nc2ccccc2)n1.
What is the InChIKey of (4-anilino-2-methylsulfanylpyrimidin-5-yl)methanol?
The InChIKey is VKKVBYUUQXHFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-17-12-13-7-9(8-16)11(15-12)14-10-5-3-2-4-6-10/h2-7,16H,8H2,1H3,(H,13,14,15).
What are the key properties of (4-anilino-2-methylsulfanylpyrimidin-5-yl)methanol?
(4-anilino-2-methylsulfanylpyrimidin-5-yl)methanol has a molecular weight of 247.32 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-anilino-2-methylsulfanylpyrimidin-5-yl)methanol is sourced from PubChem (CID 10681947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).