5-fluoro-2-[(4-methylphenyl)methoxy]-1,2-dihydropyrimidin-4-amine

C12H14FN3O — CID 136638505

IUPAC5-fluoro-2-[(4-methylphenyl)methoxy]-1,2-dihydropyrimidin-4-amine
SMILESCc1ccc(COC2N=C(N)C(F)=CN2)cc1
InChIInChI=1S/C12H14FN3O/c1-8-2-4-9(5-3-8)7-17-12-15-6-10(13)11(14)16-12/h2-6,12,15H,7H2,1H3,(H2,14,16)
InChIKeyVEAMUMQRLAZCPI-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.57
Rot. Bonds3

About 5-fluoro-2-[(4-methylphenyl)methoxy]-1,2-dihydropyrimidin-4-amine

5-fluoro-2-[(4-methylphenyl)methoxy]-1,2-dihydropyrimidin-4-amine (PubChem CID 136638505) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 5-fluoro-2-[(4-methylphenyl)methoxy]-1,2-dihydropyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-[(4-methylphenyl)methoxy]-1,2-dihydropyrimidin-4-amine
PubChem CID136638505
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name5-fluoro-2-[(4-methylphenyl)methoxy]-1,2-dihydropyrimidin-4-amine
SMILESCc1ccc(COC2N=C(N)C(F)=CN2)cc1
InChIInChI=1S/C12H14FN3O/c1-8-2-4-9(5-3-8)7-17-12-15-6-10(13)11(14)16-12/h2-6,12,15H,7H2,1H3,(H2,14,16)
InChIKeyVEAMUMQRLAZCPI-UHFFFAOYSA-N
XLogP1.57
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-2-[(4-methylphenyl)methoxy]-1,2-dihydropyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(4-methylphenyl)methoxy]-1,2-dihydropyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-[(4-methylphenyl)methoxy]-1,2-dihydropyrimidin-4-amine (CID 136638505) is 5-fluoro-2-[(4-methylphenyl)methoxy]-1,2-dihydropyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-[(4-methylphenyl)methoxy]-1,2-dihydropyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-[(4-methylphenyl)methoxy]-1,2-dihydropyrimidin-4-amine is Cc1ccc(COC2N=C(N)C(F)=CN2)cc1.
What is the InChIKey of 5-fluoro-2-[(4-methylphenyl)methoxy]-1,2-dihydropyrimidin-4-amine?
The InChIKey is VEAMUMQRLAZCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-8-2-4-9(5-3-8)7-17-12-15-6-10(13)11(14)16-12/h2-6,12,15H,7H2,1H3,(H2,14,16).
What are the key properties of 5-fluoro-2-[(4-methylphenyl)methoxy]-1,2-dihydropyrimidin-4-amine?
5-fluoro-2-[(4-methylphenyl)methoxy]-1,2-dihydropyrimidin-4-amine has a molecular weight of 235.26 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(4-methylphenyl)methoxy]-1,2-dihydropyrimidin-4-amine is sourced from PubChem (CID 136638505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).