2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyrimidine-5-carbaldehyde

C11H15N3O3 — CID 102933302

IUPAC2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyrimidine-5-carbaldehyde
SMILESCC1CN(c2ncc(C=O)cn2)CC(CO)O1
InChIInChI=1S/C11H15N3O3/c1-8-4-14(5-10(7-16)17-8)11-12-2-9(6-15)3-13-11/h2-3,6,8,10,16H,4-5,7H2,1H3
InChIKeyGCJCVBMUSCSMGP-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.12
Rot. Bonds3

About 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyrimidine-5-carbaldehyde

2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyrimidine-5-carbaldehyde (PubChem CID 102933302) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyrimidine-5-carbaldehyde
PubChem CID102933302
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyrimidine-5-carbaldehyde
SMILESCC1CN(c2ncc(C=O)cn2)CC(CO)O1
InChIInChI=1S/C11H15N3O3/c1-8-4-14(5-10(7-16)17-8)11-12-2-9(6-15)3-13-11/h2-3,6,8,10,16H,4-5,7H2,1H3
InChIKeyGCJCVBMUSCSMGP-UHFFFAOYSA-N
XLogP-0.12
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[6-methyl-4-[5-(propylaminomethyl)pyrimidin-2-yl]morpholin-2-yl]methanol
CID 102933644
3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-methylpyrazin-2-one
CID 102935181
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]methanamine
CID 104959418
[4-[5-(hydroxymethyl)pyrazin-2-yl]-6-methylmorpholin-2-yl]methanol
CID 107372998
[4-(3-aminopyrazin-2-yl)-6-methylmorpholin-2-yl]methanol
CID 102976001
5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyridine-2-carboxylic acid
CID 102933160
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 102933312
[4-(1-ethylimidazol-2-yl)-6-methylmorpholin-2-yl]methanol
CID 102935092
[(2S,6S)-6-methyl-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-2-yl]methanol
CID 100653088
(2R,6S)-4-(5-chloropyrimidin-2-yl)-2,6-dimethylmorpholine
CID 124761431
[4-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-6-methylmorpholin-2-yl]methanol
CID 102939089
5-chloro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136981221

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyrimidine-5-carbaldehyde?
The IUPAC name of 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyrimidine-5-carbaldehyde (CID 102933302) is 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyrimidine-5-carbaldehyde?
The canonical SMILES for 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyrimidine-5-carbaldehyde is CC1CN(c2ncc(C=O)cn2)CC(CO)O1.
What is the InChIKey of 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyrimidine-5-carbaldehyde?
The InChIKey is GCJCVBMUSCSMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-8-4-14(5-10(7-16)17-8)11-12-2-9(6-15)3-13-11/h2-3,6,8,10,16H,4-5,7H2,1H3.
What are the key properties of 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyrimidine-5-carbaldehyde?
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyrimidine-5-carbaldehyde has a molecular weight of 237.26 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 102933302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).