4-N-(3-aminophenyl)-5-fluoro-2-N-(3-propan-2-yloxyphenyl)pyrimidine-2,4-diamine

C19H20FN5O — CID 22060410

IUPAC4-N-(3-aminophenyl)-5-fluoro-2-N-(3-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
SMILESCC(C)Oc1cccc(Nc2ncc(F)c(Nc3cccc(N)c3)n2)c1
InChIInChI=1S/C19H20FN5O/c1-12(2)26-16-8-4-7-15(10-16)24-19-22-11-17(20)18(25-19)23-14-6-3-5-13(21)9-14/h3-12H,21H2,1-2H3,(H2,22,23,24,25)
InChIKeyGOFRVGBPBJZZIQ-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.47
Rot. Bonds6

About 4-N-(3-aminophenyl)-5-fluoro-2-N-(3-propan-2-yloxyphenyl)pyrimidine-2,4-diamine

4-N-(3-aminophenyl)-5-fluoro-2-N-(3-propan-2-yloxyphenyl)pyrimidine-2,4-diamine (PubChem CID 22060410) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is 4-N-(3-aminophenyl)-5-fluoro-2-N-(3-propan-2-yloxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-aminophenyl)-5-fluoro-2-N-(3-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
PubChem CID22060410
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name4-N-(3-aminophenyl)-5-fluoro-2-N-(3-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
SMILESCC(C)Oc1cccc(Nc2ncc(F)c(Nc3cccc(N)c3)n2)c1
InChIInChI=1S/C19H20FN5O/c1-12(2)26-16-8-4-7-15(10-16)24-19-22-11-17(20)18(25-19)23-14-6-3-5-13(21)9-14/h3-12H,21H2,1-2H3,(H2,22,23,24,25)
InChIKeyGOFRVGBPBJZZIQ-UHFFFAOYSA-N
XLogP4.47
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-N-(3-aminophenyl)-5-fluoro-2-N-(3-propan-2-yloxyphenyl)pyrimidine-2,4-diamine 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 4-N-(3-aminophenyl)-5-fluoro-2-N-(3-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-aminophenyl)-5-fluoro-2-N-(3-propan-2-yloxyphenyl)pyrimidine-2,4-diamine (CID 22060410) is 4-N-(3-aminophenyl)-5-fluoro-2-N-(3-propan-2-yloxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-aminophenyl)-5-fluoro-2-N-(3-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-aminophenyl)-5-fluoro-2-N-(3-propan-2-yloxyphenyl)pyrimidine-2,4-diamine is CC(C)Oc1cccc(Nc2ncc(F)c(Nc3cccc(N)c3)n2)c1.
What is the InChIKey of 4-N-(3-aminophenyl)-5-fluoro-2-N-(3-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is GOFRVGBPBJZZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-12(2)26-16-8-4-7-15(10-16)24-19-22-11-17(20)18(25-19)23-14-6-3-5-13(21)9-14/h3-12H,21H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 4-N-(3-aminophenyl)-5-fluoro-2-N-(3-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
4-N-(3-aminophenyl)-5-fluoro-2-N-(3-propan-2-yloxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 353.40 g/mol, XLogP of 4.47, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-aminophenyl)-5-fluoro-2-N-(3-propan-2-yloxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 22060410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).