2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetaldehyde;N-ethyl-N-methylpyridin-2-amine

About 2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetaldehyde;N-ethyl-N-methylpyridin-2-amine

2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetaldehyde;N-ethyl-N-methylpyridin-2-amine (PubChem CID 153393322) has the molecular formula C27H27F3N6O2 and a molecular weight of 524.55 g/mol. Its IUPAC name is 2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetaldehyde;N-ethyl-N-methylpyridin-2-amine.

Molecular Properties

Compound Name	2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetaldehyde;N-ethyl-N-methylpyridin-2-amine
PubChem CID	153393322
Molecular Formula	C27H27F3N6O2
Molecular Weight	524.55 g/mol
Exact Mass	524.21
IUPAC Name	2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetaldehyde;N-ethyl-N-methylpyridin-2-amine
SMILES	CCN(C)c1ccccn1.Cc1cc(-c2c(OCC=O)nc(N)nc2-c2ccc(F)cc2)cc(C(F)F)n1
InChI	InChI=1S/C19H15F3N4O2.C8H12N2/c1-10-8-12(9-14(24-10)17(21)22)15-16(11-2-4-13(20)5-3-11)25-19(23)26-18(15)28-7-6-27;1-3-10(2)8-6-4-5-7-9-8/h2-6,8-9,17H,7H2,1H3,(H2,23,25,26);4-7H,3H2,1-2H3
InChIKey	OVUPPDRQJJHKFL-UHFFFAOYSA-N
XLogP	5.29
TPSA	107.12 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	8
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.55
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetaldehyde;N-ethyl-N-methylpyridin-2-amine?

The IUPAC name of 2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetaldehyde;N-ethyl-N-methylpyridin-2-amine (CID 153393322) is 2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetaldehyde;N-ethyl-N-methylpyridin-2-amine.

What is the SMILES notation for 2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetaldehyde;N-ethyl-N-methylpyridin-2-amine?

The canonical SMILES for 2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetaldehyde;N-ethyl-N-methylpyridin-2-amine is CCN(C)c1ccccn1.Cc1cc(-c2c(OCC=O)nc(N)nc2-c2ccc(F)cc2)cc(C(F)F)n1.

What is the InChIKey of 2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetaldehyde;N-ethyl-N-methylpyridin-2-amine?

The InChIKey is OVUPPDRQJJHKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2.C8H12N2/c1-10-8-12(9-14(24-10)17(21)22)15-16(11-2-4-13(20)5-3-11)25-19(23)26-18(15)28-7-6-27;1-3-10(2)8-6-4-5-7-9-8/h2-6,8-9,17H,7H2,1H3,(H2,23,25,26);4-7H,3H2,1-2H3.

What are the key properties of 2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetaldehyde;N-ethyl-N-methylpyridin-2-amine?

2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetaldehyde;N-ethyl-N-methylpyridin-2-amine has a molecular weight of 524.55 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-amino-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-4-yl]oxyacetaldehyde;N-ethyl-N-methylpyridin-2-amine is sourced from PubChem (CID 153393322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).