[4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methanol

C12H13N3O2 — CID 83184999

IUPAC[4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methanol
SMILESCc1ccc(Oc2ncc(CO)c(C)n2)cn1
InChIInChI=1S/C12H13N3O2/c1-8-3-4-11(6-13-8)17-12-14-5-10(7-16)9(2)15-12/h3-6,16H,7H2,1-2H3
InChIKeyRWPOBEDGHJMBIW-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.77
Rot. Bonds3

About [4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methanol

[4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methanol (PubChem CID 83184999) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is [4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methanol
PubChem CID83184999
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name[4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methanol
SMILESCc1ccc(Oc2ncc(CO)c(C)n2)cn1
InChIInChI=1S/C12H13N3O2/c1-8-3-4-11(6-13-8)17-12-14-5-10(7-16)9(2)15-12/h3-6,16H,7H2,1-2H3
InChIKeyRWPOBEDGHJMBIW-UHFFFAOYSA-N
XLogP1.77
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methanol?
The IUPAC name of [4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methanol (CID 83184999) is [4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methanol.
What is the SMILES notation for [4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methanol?
The canonical SMILES for [4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methanol is Cc1ccc(Oc2ncc(CO)c(C)n2)cn1.
What is the InChIKey of [4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methanol?
The InChIKey is RWPOBEDGHJMBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-3-4-11(6-13-8)17-12-14-5-10(7-16)9(2)15-12/h3-6,16H,7H2,1-2H3.
What are the key properties of [4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methanol?
[4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methanol has a molecular weight of 231.25 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methanol is sourced from PubChem (CID 83184999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).