4-ethoxy-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine

C13H14FN3O — CID 112636517

IUPAC4-ethoxy-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
SMILESCCOc1ccnc(NCc2ccc(F)cc2)n1
InChIInChI=1S/C13H14FN3O/c1-2-18-12-7-8-15-13(17-12)16-9-10-3-5-11(14)6-4-10/h3-8H,2,9H2,1H3,(H,15,16,17)
InChIKeyZAIUCHDRBYNHOF-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.63
Rot. Bonds5

About 4-ethoxy-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine

4-ethoxy-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine (PubChem CID 112636517) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 4-ethoxy-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
PubChem CID112636517
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name4-ethoxy-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
SMILESCCOc1ccnc(NCc2ccc(F)cc2)n1
InChIInChI=1S/C13H14FN3O/c1-2-18-12-7-8-15-13(17-12)16-9-10-3-5-11(14)6-4-10/h3-8H,2,9H2,1H3,(H,15,16,17)
InChIKeyZAIUCHDRBYNHOF-UHFFFAOYSA-N
XLogP2.63
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 112636470
4-ethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine
CID 115974875
4-[[(4-ethoxypyrimidin-2-yl)amino]methyl]benzoic acid
CID 115974005
4-ethoxy-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine
CID 112636913
4-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 112636496
N-[(3-amino-4-methoxyphenyl)methyl]-4-ethoxypyrimidin-2-amine
CID 115975528
5-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid
CID 115974214
4-ethoxy-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112636546
4-ethoxy-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-2-amine
CID 112636949
4-N-butyl-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112882820
4-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]pyrimidin-2-amine
CID 114137291
4-ethoxy-N-(2-phenylethyl)pyrimidin-2-amine
CID 112636504

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine (CID 112636517) is 4-ethoxy-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine is CCOc1ccnc(NCc2ccc(F)cc2)n1.
What is the InChIKey of 4-ethoxy-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine?
The InChIKey is ZAIUCHDRBYNHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-2-18-12-7-8-15-13(17-12)16-9-10-3-5-11(14)6-4-10/h3-8H,2,9H2,1H3,(H,15,16,17).
What are the key properties of 4-ethoxy-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine?
4-ethoxy-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine has a molecular weight of 247.27 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 112636517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).