[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanol

C12H13N3O2 — CID 79158019

IUPAC[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanol
SMILESCc1ccc(OCc2ncccn2)c(CO)n1
InChIInChI=1S/C12H13N3O2/c1-9-3-4-11(10(7-16)15-9)17-8-12-13-5-2-6-14-12/h2-6,16H,7-8H2,1H3
InChIKeyPQDQCWCOGVSSDO-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.25
Rot. Bonds4

About [6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanol

[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanol (PubChem CID 79158019) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is [6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanol
PubChem CID79158019
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanol
SMILESCc1ccc(OCc2ncccn2)c(CO)n1
InChIInChI=1S/C12H13N3O2/c1-9-3-4-11(10(7-16)15-9)17-8-12-13-5-2-6-14-12/h2-6,16H,7-8H2,1H3
InChIKeyPQDQCWCOGVSSDO-UHFFFAOYSA-N
XLogP1.25
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79150991
N-methyl-1-[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanamine
CID 79150580
[6-methyl-3-(quinolin-2-ylmethoxy)-2-pyridinyl]methanol
CID 79157803
[3-[2-(2-methoxyphenoxy)ethoxy]-6-methyl-2-pyridinyl]methanol
CID 79158678
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxymethyl]benzonitrile
CID 79158871
[6-methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-2-pyridinyl]methanol
CID 79156313
[3-[(3-bromophenyl)methoxy]-6-methyl-2-pyridinyl]methanol
CID 79158554
[6-methyl-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]methanol
CID 79157639
[3-(3-methoxypropoxy)-6-methyl-2-pyridinyl]methanol
CID 79157840
[6-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-2-pyridinyl]methanol
CID 79157249
[3-[(5-ethylthiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]methanol
CID 79168779
[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]-6-methyl-2-pyridinyl]methanol
CID 79163828

Frequently Asked Questions

What is the IUPAC name of [6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanol?
The IUPAC name of [6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanol (CID 79158019) is [6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanol?
The canonical SMILES for [6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanol is Cc1ccc(OCc2ncccn2)c(CO)n1.
What is the InChIKey of [6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanol?
The InChIKey is PQDQCWCOGVSSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-9-3-4-11(10(7-16)15-9)17-8-12-13-5-2-6-14-12/h2-6,16H,7-8H2,1H3.
What are the key properties of [6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanol?
[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanol has a molecular weight of 231.25 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 79158019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).