[4-[(2-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidin-5-yl]methanol

C14H17N3O2S — CID 849412

IUPAC[4-[(2-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidin-5-yl]methanol
SMILESCOc1ccccc1CNc1nc(SC)ncc1CO
InChIInChI=1S/C14H17N3O2S/c1-19-12-6-4-3-5-10(12)7-15-13-11(9-18)8-16-14(17-13)20-2/h3-6,8,18H,7,9H2,1-2H3,(H,15,16,17)
InChIKeyOQKHHOLQABXRLN-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.31
Rot. Bonds6

About [4-[(2-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidin-5-yl]methanol

[4-[(2-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidin-5-yl]methanol (PubChem CID 849412) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is [4-[(2-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-[(2-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidin-5-yl]methanol
PubChem CID849412
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name[4-[(2-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidin-5-yl]methanol
SMILESCOc1ccccc1CNc1nc(SC)ncc1CO
InChIInChI=1S/C14H17N3O2S/c1-19-12-6-4-3-5-10(12)7-15-13-11(9-18)8-16-14(17-13)20-2/h3-6,8,18H,7,9H2,1-2H3,(H,15,16,17)
InChIKeyOQKHHOLQABXRLN-UHFFFAOYSA-N
XLogP2.31
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidin-5-yl]methanol?
The IUPAC name of [4-[(2-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidin-5-yl]methanol (CID 849412) is [4-[(2-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidin-5-yl]methanol.
What is the SMILES notation for [4-[(2-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidin-5-yl]methanol?
The canonical SMILES for [4-[(2-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidin-5-yl]methanol is COc1ccccc1CNc1nc(SC)ncc1CO.
What is the InChIKey of [4-[(2-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidin-5-yl]methanol?
The InChIKey is OQKHHOLQABXRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-19-12-6-4-3-5-10(12)7-15-13-11(9-18)8-16-14(17-13)20-2/h3-6,8,18H,7,9H2,1-2H3,(H,15,16,17).
What are the key properties of [4-[(2-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidin-5-yl]methanol?
[4-[(2-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidin-5-yl]methanol has a molecular weight of 291.38 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidin-5-yl]methanol is sourced from PubChem (CID 849412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).