2-(phenoxymethyl)pyrimidine-4-carbaldehyde

C12H10N2O2 — CID 62747722

IUPAC2-(phenoxymethyl)pyrimidine-4-carbaldehyde
SMILESO=Cc1ccnc(COc2ccccc2)n1
InChIInChI=1S/C12H10N2O2/c15-8-10-6-7-13-12(14-10)9-16-11-4-2-1-3-5-11/h1-8H,9H2
InChIKeyUSILFKZCWJEEKJ-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.87
Rot. Bonds4

About 2-(phenoxymethyl)pyrimidine-4-carbaldehyde

2-(phenoxymethyl)pyrimidine-4-carbaldehyde (PubChem CID 62747722) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-(phenoxymethyl)pyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name2-(phenoxymethyl)pyrimidine-4-carbaldehyde
PubChem CID62747722
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name2-(phenoxymethyl)pyrimidine-4-carbaldehyde
SMILESO=Cc1ccnc(COc2ccccc2)n1
InChIInChI=1S/C12H10N2O2/c15-8-10-6-7-13-12(14-10)9-16-11-4-2-1-3-5-11/h1-8H,9H2
InChIKeyUSILFKZCWJEEKJ-UHFFFAOYSA-N
XLogP1.87
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-2-(phenoxymethyl)pyrimidine
CID 62746871
2-[(2-fluorophenyl)methyl]pyrimidine-4-carbaldehyde
CID 62748248
2-[2-(2-methoxyethoxy)ethyl]pyrimidine-4-carbaldehyde
CID 102929062
benzyl N-(4-formylpyrimidin-2-yl)carbamate;hydrochloride
CID 135370586
2,3,7,8-tetrakis(phenoxymethyl)phenazine
CID 15048480
3-(phenoxymethyl)furan-2-carbaldehyde
CID 175986612
4-methyl-6-phenylmethoxyquinoline-2-carbaldehyde
CID 82573841
3-(phenoxymethyl)-2,4,6-triazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaen-8-one
CID 157075351
3-[5-(pyrimidin-2-ylmethoxy)-2-pyridinyl]prop-2-enoic acid
CID 79800410
1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanone
CID 62771886
2-bromo-4-phenylmethoxybenzaldehyde
CID 11173819
3-[(4-aminopyrimidin-2-yl)methoxy]phenol
CID 105470749

Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)pyrimidine-4-carbaldehyde?
The IUPAC name of 2-(phenoxymethyl)pyrimidine-4-carbaldehyde (CID 62747722) is 2-(phenoxymethyl)pyrimidine-4-carbaldehyde.
What is the SMILES notation for 2-(phenoxymethyl)pyrimidine-4-carbaldehyde?
The canonical SMILES for 2-(phenoxymethyl)pyrimidine-4-carbaldehyde is O=Cc1ccnc(COc2ccccc2)n1.
What is the InChIKey of 2-(phenoxymethyl)pyrimidine-4-carbaldehyde?
The InChIKey is USILFKZCWJEEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c15-8-10-6-7-13-12(14-10)9-16-11-4-2-1-3-5-11/h1-8H,9H2.
What are the key properties of 2-(phenoxymethyl)pyrimidine-4-carbaldehyde?
2-(phenoxymethyl)pyrimidine-4-carbaldehyde has a molecular weight of 214.22 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)pyrimidine-4-carbaldehyde is sourced from PubChem (CID 62747722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).