4-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoropyrimidine-2,4-diamine

C13H15FN4O2 — CID 80829199

IUPAC4-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoropyrimidine-2,4-diamine
SMILESCOc1ccc(CNc2nc(N)ncc2F)c(OC)c1
InChIInChI=1S/C13H15FN4O2/c1-19-9-4-3-8(11(5-9)20-2)6-16-12-10(14)7-17-13(15)18-12/h3-5,7H,6H2,1-2H3,(H3,15,16,17,18)
InChIKeyZZFWMSOXCZCVLW-UHFFFAOYSA-N
MW278.29 g/mol
LogP1.83
Rot. Bonds5

About 4-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoropyrimidine-2,4-diamine

4-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoropyrimidine-2,4-diamine (PubChem CID 80829199) has the molecular formula C13H15FN4O2 and a molecular weight of 278.29 g/mol. Its IUPAC name is 4-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoropyrimidine-2,4-diamine
PubChem CID80829199
Molecular FormulaC13H15FN4O2
Molecular Weight278.29 g/mol
Exact Mass278.12
IUPAC Name4-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoropyrimidine-2,4-diamine
SMILESCOc1ccc(CNc2nc(N)ncc2F)c(OC)c1
InChIInChI=1S/C13H15FN4O2/c1-19-9-4-3-8(11(5-9)20-2)6-16-12-10(14)7-17-13(15)18-12/h3-5,7H,6H2,1-2H3,(H3,15,16,17,18)
InChIKeyZZFWMSOXCZCVLW-UHFFFAOYSA-N
XLogP1.83
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-3-fluoropyridin-2-amine
CID 104923949
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methoxypyridin-2-amine
CID 155166582
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80906951
6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]pyridine-2,3,4-triamine
CID 154666347
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
4-N-[(2,4-dimethoxyphenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80815552
4-N-[(2,4-dimethoxyphenyl)methyl]-2-(fluoromethyl)pyrimidine-4,6-diamine
CID 169247534
2-bromo-3-fluoro-4-methoxypyridine;N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methoxypyridin-2-amine
CID 167698309
N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 60966861
4-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluoroaniline
CID 65470060
3-chloro-N-[(2,4-dimethoxyphenyl)methyl]pyridin-2-amine
CID 55189857
5-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 139327511

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoropyrimidine-2,4-diamine (CID 80829199) is 4-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoropyrimidine-2,4-diamine is COc1ccc(CNc2nc(N)ncc2F)c(OC)c1.
What is the InChIKey of 4-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoropyrimidine-2,4-diamine?
The InChIKey is ZZFWMSOXCZCVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2/c1-19-9-4-3-8(11(5-9)20-2)6-16-12-10(14)7-17-13(15)18-12/h3-5,7H,6H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 4-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoropyrimidine-2,4-diamine?
4-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoropyrimidine-2,4-diamine has a molecular weight of 278.29 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 80829199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).