5-(2-fluoro-4-phenoxyphenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C19H15FN4O — CID 141348837

IUPAC5-(2-fluoro-4-phenoxyphenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1[nH]c2ncnc(N)c2c1-c1ccc(Oc2ccccc2)cc1F
InChIInChI=1S/C19H15FN4O/c1-11-16(17-18(21)22-10-23-19(17)24-11)14-8-7-13(9-15(14)20)25-12-5-3-2-4-6-12/h2-10H,1H3,(H3,21,22,23,24)
InChIKeyVZXPCYMUUMHISZ-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.45
Rot. Bonds3

About 5-(2-fluoro-4-phenoxyphenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

5-(2-fluoro-4-phenoxyphenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 141348837) has the molecular formula C19H15FN4O and a molecular weight of 334.35 g/mol. Its IUPAC name is 5-(2-fluoro-4-phenoxyphenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(2-fluoro-4-phenoxyphenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID141348837
Molecular FormulaC19H15FN4O
Molecular Weight334.35 g/mol
Exact Mass334.12
IUPAC Name5-(2-fluoro-4-phenoxyphenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1[nH]c2ncnc(N)c2c1-c1ccc(Oc2ccccc2)cc1F
InChIInChI=1S/C19H15FN4O/c1-11-16(17-18(21)22-10-23-19(17)24-11)14-8-7-13(9-15(14)20)25-12-5-3-2-4-6-12/h2-10H,1H3,(H3,21,22,23,24)
InChIKeyVZXPCYMUUMHISZ-UHFFFAOYSA-N
XLogP4.45
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 151327093
3-(2-fluoro-4-phenoxyphenyl)-1-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 141348836
1-[(2S)-2-aminopropyl]-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 90002567
2-[(2R)-2-aminopropyl]-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 71014081
3-(2-methyl-4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 154131553
3-(2-fluoro-4-phenoxyphenyl)-1-(1H-pyrrol-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 141387622
6-(5-amino-2-fluorophenoxy)-5-(4-phenoxyphenyl)pyrimidin-4-amine
CID 89266794
3-fluoro-4-(4-phenoxyphenyl)aniline
CID 65437775
2-fluoro-6-methyl-4-phenoxyaniline
CID 129220510
7-cyclohexyl-5-(2-fluoro-4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine
CID 156857303
(E)-3-[4-amino-7-cyclopentyl-5-(2-fluoro-4-phenoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]prop-2-enoic acid
CID 66612229
(2R)-1-[3-(2-fluoro-4-phenoxyphenyl)pyrazol-1-yl]propan-2-amine
CID 175300662

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-phenoxyphenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(2-fluoro-4-phenoxyphenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 141348837) is 5-(2-fluoro-4-phenoxyphenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(2-fluoro-4-phenoxyphenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(2-fluoro-4-phenoxyphenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1[nH]c2ncnc(N)c2c1-c1ccc(Oc2ccccc2)cc1F.
What is the InChIKey of 5-(2-fluoro-4-phenoxyphenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is VZXPCYMUUMHISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O/c1-11-16(17-18(21)22-10-23-19(17)24-11)14-8-7-13(9-15(14)20)25-12-5-3-2-4-6-12/h2-10H,1H3,(H3,21,22,23,24).
What are the key properties of 5-(2-fluoro-4-phenoxyphenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
5-(2-fluoro-4-phenoxyphenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 334.35 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-phenoxyphenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 141348837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).