[2-(3-methoxy-4-methylpiperidin-1-yl)-6-methylpyrimidin-4-yl]methanol

C13H21N3O2 — CID 114219929

IUPAC[2-(3-methoxy-4-methylpiperidin-1-yl)-6-methylpyrimidin-4-yl]methanol
SMILESCOC1CN(c2nc(C)cc(CO)n2)CCC1C
InChIInChI=1S/C13H21N3O2/c1-9-4-5-16(7-12(9)18-3)13-14-10(2)6-11(8-17)15-13/h6,9,12,17H,4-5,7-8H2,1-3H3
InChIKeyBOTABTMGAPWAQH-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.14
Rot. Bonds3

About [2-(3-methoxy-4-methylpiperidin-1-yl)-6-methylpyrimidin-4-yl]methanol

[2-(3-methoxy-4-methylpiperidin-1-yl)-6-methylpyrimidin-4-yl]methanol (PubChem CID 114219929) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is [2-(3-methoxy-4-methylpiperidin-1-yl)-6-methylpyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-(3-methoxy-4-methylpiperidin-1-yl)-6-methylpyrimidin-4-yl]methanol
PubChem CID114219929
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name[2-(3-methoxy-4-methylpiperidin-1-yl)-6-methylpyrimidin-4-yl]methanol
SMILESCOC1CN(c2nc(C)cc(CO)n2)CCC1C
InChIInChI=1S/C13H21N3O2/c1-9-4-5-16(7-12(9)18-3)13-14-10(2)6-11(8-17)15-13/h6,9,12,17H,4-5,7-8H2,1-3H3
InChIKeyBOTABTMGAPWAQH-UHFFFAOYSA-N
XLogP1.14
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]methanol
CID 62373112
[6-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidin-4-yl]methanamine
CID 107541701
[5-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methanol
CID 102959940
2-(3-methoxy-4-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide
CID 102957969
4-(3-methoxy-4-methylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 102971401
[1-(4-ethyl-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol
CID 69451869
4-(3-methoxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid
CID 102958647
4-(3-methoxy-4-methylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 102971465
2-(3-methoxy-4-methylpiperidin-1-yl)-5-methylbenzoic acid
CID 102958674
N-[[6-(3-methoxy-4-methylpiperidin-1-yl)-2-pyridinyl]methyl]ethanamine
CID 102967645
[1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102787035
(1R)-1-[4-[(2S)-4-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]-2-methylpiperazin-1-yl]pyrimidin-2-yl]ethanol
CID 11046187

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxy-4-methylpiperidin-1-yl)-6-methylpyrimidin-4-yl]methanol?
The IUPAC name of [2-(3-methoxy-4-methylpiperidin-1-yl)-6-methylpyrimidin-4-yl]methanol (CID 114219929) is [2-(3-methoxy-4-methylpiperidin-1-yl)-6-methylpyrimidin-4-yl]methanol.
What is the SMILES notation for [2-(3-methoxy-4-methylpiperidin-1-yl)-6-methylpyrimidin-4-yl]methanol?
The canonical SMILES for [2-(3-methoxy-4-methylpiperidin-1-yl)-6-methylpyrimidin-4-yl]methanol is COC1CN(c2nc(C)cc(CO)n2)CCC1C.
What is the InChIKey of [2-(3-methoxy-4-methylpiperidin-1-yl)-6-methylpyrimidin-4-yl]methanol?
The InChIKey is BOTABTMGAPWAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-4-5-16(7-12(9)18-3)13-14-10(2)6-11(8-17)15-13/h6,9,12,17H,4-5,7-8H2,1-3H3.
What are the key properties of [2-(3-methoxy-4-methylpiperidin-1-yl)-6-methylpyrimidin-4-yl]methanol?
[2-(3-methoxy-4-methylpiperidin-1-yl)-6-methylpyrimidin-4-yl]methanol has a molecular weight of 251.33 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxy-4-methylpiperidin-1-yl)-6-methylpyrimidin-4-yl]methanol is sourced from PubChem (CID 114219929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).