[3-[4-(aminomethyl)-6-methylpyrimidin-2-yl]oxyphenyl]methanol

C13H15N3O2 — CID 107542656

IUPAC[3-[4-(aminomethyl)-6-methylpyrimidin-2-yl]oxyphenyl]methanol
SMILESCc1cc(CN)nc(Oc2cccc(CO)c2)n1
InChIInChI=1S/C13H15N3O2/c1-9-5-11(7-14)16-13(15-9)18-12-4-2-3-10(6-12)8-17/h2-6,17H,7-8,14H2,1H3
InChIKeyRSIJEXYMHNYMFC-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.53
Rot. Bonds4

About [3-[4-(aminomethyl)-6-methylpyrimidin-2-yl]oxyphenyl]methanol

[3-[4-(aminomethyl)-6-methylpyrimidin-2-yl]oxyphenyl]methanol (PubChem CID 107542656) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is [3-[4-(aminomethyl)-6-methylpyrimidin-2-yl]oxyphenyl]methanol.

Molecular Properties

Compound Name[3-[4-(aminomethyl)-6-methylpyrimidin-2-yl]oxyphenyl]methanol
PubChem CID107542656
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name[3-[4-(aminomethyl)-6-methylpyrimidin-2-yl]oxyphenyl]methanol
SMILESCc1cc(CN)nc(Oc2cccc(CO)c2)n1
InChIInChI=1S/C13H15N3O2/c1-9-5-11(7-14)16-13(15-9)18-12-4-2-3-10(6-12)8-17/h2-6,17H,7-8,14H2,1H3
InChIKeyRSIJEXYMHNYMFC-UHFFFAOYSA-N
XLogP1.53
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]methanol
CID 79869654
[3-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]methanol
CID 83184825
[3-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]methanol
CID 79868756
[3-(2-methylquinolin-4-yl)oxyphenyl]methanol
CID 79869243
[2-(4-bromophenoxy)-6-methylpyrimidin-4-yl]methanol
CID 114219948
2-[3-(hydroxymethyl)phenoxy]pyrimidine-4-carbothioamide
CID 107548615
[2-[3-(methoxymethyl)phenoxy]pyrimidin-4-yl]methanamine
CID 107542682
[3-(2-amino-6-methylphenoxy)phenyl]methanol
CID 115550948
2-(3-chlorophenoxy)-4,6-dimethylpyrimidine
CID 171984782
(3-methoxyphenyl)(113C)methanol
CID 11593446
[6-methyl-2-(2-propoxyphenoxy)pyrimidin-4-yl]methanamine
CID 107542475
[3-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]methanol
CID 80872360

Frequently Asked Questions

What is the IUPAC name of [3-[4-(aminomethyl)-6-methylpyrimidin-2-yl]oxyphenyl]methanol?
The IUPAC name of [3-[4-(aminomethyl)-6-methylpyrimidin-2-yl]oxyphenyl]methanol (CID 107542656) is [3-[4-(aminomethyl)-6-methylpyrimidin-2-yl]oxyphenyl]methanol.
What is the SMILES notation for [3-[4-(aminomethyl)-6-methylpyrimidin-2-yl]oxyphenyl]methanol?
The canonical SMILES for [3-[4-(aminomethyl)-6-methylpyrimidin-2-yl]oxyphenyl]methanol is Cc1cc(CN)nc(Oc2cccc(CO)c2)n1.
What is the InChIKey of [3-[4-(aminomethyl)-6-methylpyrimidin-2-yl]oxyphenyl]methanol?
The InChIKey is RSIJEXYMHNYMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-5-11(7-14)16-13(15-9)18-12-4-2-3-10(6-12)8-17/h2-6,17H,7-8,14H2,1H3.
What are the key properties of [3-[4-(aminomethyl)-6-methylpyrimidin-2-yl]oxyphenyl]methanol?
[3-[4-(aminomethyl)-6-methylpyrimidin-2-yl]oxyphenyl]methanol has a molecular weight of 245.28 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(aminomethyl)-6-methylpyrimidin-2-yl]oxyphenyl]methanol is sourced from PubChem (CID 107542656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).