2-[(2-fluorophenyl)methyl-methylamino]pyrimidine-5-carbaldehyde

C13H12FN3O — CID 113387633

IUPAC2-[(2-fluorophenyl)methyl-methylamino]pyrimidine-5-carbaldehyde
SMILESCN(Cc1ccccc1F)c1ncc(C=O)cn1
InChIInChI=1S/C13H12FN3O/c1-17(8-11-4-2-3-5-12(11)14)13-15-6-10(9-18)7-16-13/h2-7,9H,8H2,1H3
InChIKeyGUJKIESTRSUHRC-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.06
Rot. Bonds4

About 2-[(2-fluorophenyl)methyl-methylamino]pyrimidine-5-carbaldehyde

2-[(2-fluorophenyl)methyl-methylamino]pyrimidine-5-carbaldehyde (PubChem CID 113387633) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl-methylamino]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl-methylamino]pyrimidine-5-carbaldehyde
PubChem CID113387633
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC Name2-[(2-fluorophenyl)methyl-methylamino]pyrimidine-5-carbaldehyde
SMILESCN(Cc1ccccc1F)c1ncc(C=O)cn1
InChIInChI=1S/C13H12FN3O/c1-17(8-11-4-2-3-5-12(11)14)13-15-6-10(9-18)7-16-13/h2-7,9H,8H2,1H3
InChIKeyGUJKIESTRSUHRC-UHFFFAOYSA-N
XLogP2.06
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.06
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

N-[(2-fluorophenyl)methyl]-N,5-dimethylpyrimidin-2-amine
CID 171701097
5-(bromomethyl)-N-[(2-fluorophenyl)methyl]-N-methylpyrimidin-2-amine
CID 107080917
4-[(2-fluorophenyl)methyl-methylamino]benzaldehyde
CID 61412166
5-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N,4-dimethylpyrimidin-2-amine
CID 83184048
3-fluoro-2-[(2-fluorophenyl)methyl-methylamino]benzaldehyde
CID 114067025
2-N-[(2-fluorophenyl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80794162
4-bromo-2-[(2-fluorophenyl)methyl-methylamino]benzaldehyde
CID 61412218
5-(difluoromethoxy)-N-[(2-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 133424088
N-[(2-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-2-amine
CID 171327101
N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride
CID 79886378
3-chloro-N-[(2-fluorophenyl)methyl]-N-methylpropan-1-amine
CID 61412579
[2-[(2-fluorophenyl)methyl-methylamino]phenyl]methanol
CID 61412891

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl-methylamino]pyrimidine-5-carbaldehyde?
The IUPAC name of 2-[(2-fluorophenyl)methyl-methylamino]pyrimidine-5-carbaldehyde (CID 113387633) is 2-[(2-fluorophenyl)methyl-methylamino]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl-methylamino]pyrimidine-5-carbaldehyde?
The canonical SMILES for 2-[(2-fluorophenyl)methyl-methylamino]pyrimidine-5-carbaldehyde is CN(Cc1ccccc1F)c1ncc(C=O)cn1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl-methylamino]pyrimidine-5-carbaldehyde?
The InChIKey is GUJKIESTRSUHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c1-17(8-11-4-2-3-5-12(11)14)13-15-6-10(9-18)7-16-13/h2-7,9H,8H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)methyl-methylamino]pyrimidine-5-carbaldehyde?
2-[(2-fluorophenyl)methyl-methylamino]pyrimidine-5-carbaldehyde has a molecular weight of 245.26 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl-methylamino]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 113387633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).