(6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-phenylmethanol

C13H15N3OS — CID 44580883

IUPAC(6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-phenylmethanol
SMILESCSc1nc(N)c(C)c(C(O)c2ccccc2)n1
InChIInChI=1S/C13H15N3OS/c1-8-10(15-13(18-2)16-12(8)14)11(17)9-6-4-3-5-7-9/h3-7,11,17H,1-2H3,(H2,14,15,16)
InChIKeyOGDCMUYRMWDFRR-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.17
Rot. Bonds3

About (6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-phenylmethanol

(6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-phenylmethanol (PubChem CID 44580883) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is (6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-phenylmethanol.

Molecular Properties

Compound Name(6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-phenylmethanol
PubChem CID44580883
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name(6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-phenylmethanol
SMILESCSc1nc(N)c(C)c(C(O)c2ccccc2)n1
InChIInChI=1S/C13H15N3OS/c1-8-10(15-13(18-2)16-12(8)14)11(17)9-6-4-3-5-7-9/h3-7,11,17H,1-2H3,(H2,14,15,16)
InChIKeyOGDCMUYRMWDFRR-UHFFFAOYSA-N
XLogP2.17
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-phenylmethanol?
The IUPAC name of (6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-phenylmethanol (CID 44580883) is (6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-phenylmethanol.
What is the SMILES notation for (6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-phenylmethanol?
The canonical SMILES for (6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-phenylmethanol is CSc1nc(N)c(C)c(C(O)c2ccccc2)n1.
What is the InChIKey of (6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-phenylmethanol?
The InChIKey is OGDCMUYRMWDFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-8-10(15-13(18-2)16-12(8)14)11(17)9-6-4-3-5-7-9/h3-7,11,17H,1-2H3,(H2,14,15,16).
What are the key properties of (6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-phenylmethanol?
(6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-phenylmethanol has a molecular weight of 261.35 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-5-methyl-2-methylsulfanylpyrimidin-4-yl)-phenylmethanol is sourced from PubChem (CID 44580883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).