[3-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]methanol

C13H14N2O3 — CID 83184825

IUPAC[3-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]methanol
SMILESCc1nc(Oc2cccc(CO)c2)ncc1CO
InChIInChI=1S/C13H14N2O3/c1-9-11(8-17)6-14-13(15-9)18-12-4-2-3-10(5-12)7-16/h2-6,16-17H,7-8H2,1H3
InChIKeyGBGFQYAKSJGRAT-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.56
Rot. Bonds4

About [3-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]methanol

[3-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]methanol (PubChem CID 83184825) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is [3-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]methanol.

Molecular Properties

Compound Name[3-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]methanol
PubChem CID83184825
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name[3-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]methanol
SMILESCc1nc(Oc2cccc(CO)c2)ncc1CO
InChIInChI=1S/C13H14N2O3/c1-9-11(8-17)6-14-13(15-9)18-12-4-2-3-10(5-12)7-16/h2-6,16-17H,7-8H2,1H3
InChIKeyGBGFQYAKSJGRAT-UHFFFAOYSA-N
XLogP1.56
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(+-)-Ancymidol
CID 25572
2,4-Pyrimidinediamine, 5-((3-methoxyphenyl)methyl)-
CID 101067
2-Chloro-4-(4-methoxyphenyl)pyrimidine
CID 11148739
2-[2-Amino-5-(4-methoxyphenyl)pyrimidin-4-yl]phenol
CID 341839
4-[4-(4-Methoxyphenyl)-2-pyrimidinyl]benzenol
CID 1479927
4-[(4-Methoxy-6-methylpyrimidin-2-yl)oxy]benzaldehyde oxime
CID 6894367
4-(4-Butoxy-phenyl)-pyrimidine
CID 11264664
5-(3-Methoxyphenyl)-4-phenylpyrimidin-2-amine
CID 134140823
2-[5-(4-Methoxy-3-methylphenyl)-2-methylpyrimidin-4-yl]phenol
CID 135960808
2-[2-Amino-5-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]phenol
CID 135960809
2-[2-Amino-5-(4-ethoxyphenyl)pyrimidin-4-yl]phenol
CID 135960816
5-(3,4-Dimethoxyphenyl)-4-methyl-2-pyrimidinamine
CID 1483651

Frequently Asked Questions

What is the IUPAC name of [3-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]methanol?
The IUPAC name of [3-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]methanol (CID 83184825) is [3-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]methanol.
What is the SMILES notation for [3-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]methanol?
The canonical SMILES for [3-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]methanol is Cc1nc(Oc2cccc(CO)c2)ncc1CO.
What is the InChIKey of [3-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]methanol?
The InChIKey is GBGFQYAKSJGRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-9-11(8-17)6-14-13(15-9)18-12-4-2-3-10(5-12)7-16/h2-6,16-17H,7-8H2,1H3.
What are the key properties of [3-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]methanol?
[3-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]methanol has a molecular weight of 246.27 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]methanol is sourced from PubChem (CID 83184825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).