5-fluoro-2-[(4-methylphenyl)methoxy]-1,4-dihydropyrimidin-6-amine

C12H14FN3O — CID 146384750

IUPAC5-fluoro-2-[(4-methylphenyl)methoxy]-1,4-dihydropyrimidin-6-amine
SMILESCc1ccc(COC2=NCC(F)=C(N)N2)cc1
InChIInChI=1S/C12H14FN3O/c1-8-2-4-9(5-3-8)7-17-12-15-6-10(13)11(14)16-12/h2-5H,6-7,14H2,1H3,(H,15,16)
InChIKeyBATDBABUGCBMMS-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.57
Rot. Bonds2

About 5-fluoro-2-[(4-methylphenyl)methoxy]-1,4-dihydropyrimidin-6-amine

5-fluoro-2-[(4-methylphenyl)methoxy]-1,4-dihydropyrimidin-6-amine (PubChem CID 146384750) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 5-fluoro-2-[(4-methylphenyl)methoxy]-1,4-dihydropyrimidin-6-amine.

Molecular Properties

Compound Name5-fluoro-2-[(4-methylphenyl)methoxy]-1,4-dihydropyrimidin-6-amine
PubChem CID146384750
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name5-fluoro-2-[(4-methylphenyl)methoxy]-1,4-dihydropyrimidin-6-amine
SMILESCc1ccc(COC2=NCC(F)=C(N)N2)cc1
InChIInChI=1S/C12H14FN3O/c1-8-2-4-9(5-3-8)7-17-12-15-6-10(13)11(14)16-12/h2-5H,6-7,14H2,1H3,(H,15,16)
InChIKeyBATDBABUGCBMMS-UHFFFAOYSA-N
XLogP1.57
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(4-methylphenyl)methoxy]-1,4-dihydropyrimidin-6-amine?
The IUPAC name of 5-fluoro-2-[(4-methylphenyl)methoxy]-1,4-dihydropyrimidin-6-amine (CID 146384750) is 5-fluoro-2-[(4-methylphenyl)methoxy]-1,4-dihydropyrimidin-6-amine.
What is the SMILES notation for 5-fluoro-2-[(4-methylphenyl)methoxy]-1,4-dihydropyrimidin-6-amine?
The canonical SMILES for 5-fluoro-2-[(4-methylphenyl)methoxy]-1,4-dihydropyrimidin-6-amine is Cc1ccc(COC2=NCC(F)=C(N)N2)cc1.
What is the InChIKey of 5-fluoro-2-[(4-methylphenyl)methoxy]-1,4-dihydropyrimidin-6-amine?
The InChIKey is BATDBABUGCBMMS-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/h2-5H,6-7,14H2,1H3,(H,15,16).
What are the key properties of 5-fluoro-2-[(4-methylphenyl)methoxy]-1,4-dihydropyrimidin-6-amine?
5-fluoro-2-[(4-methylphenyl)methoxy]-1,4-dihydropyrimidin-6-amine has a molecular weight of 235.26 g/mol, XLogP of 1.57, 2 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]-1,4-dihydropyrimidin-6-amine is sourced from PubChem (CID 146384750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).