7-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine

C21H19FN4O — CID 141245796

IUPAC7-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCC(C)Oc1ccc(Nc2ncc3ccn(-c4ccccc4F)c3n2)cc1
InChIInChI=1S/C21H19FN4O/c1-14(2)27-17-9-7-16(8-10-17)24-21-23-13-15-11-12-26(20(15)25-21)19-6-4-3-5-18(19)22/h3-14H,1-2H3,(H,23,24,25)
InChIKeyIXDLKSWYGUUDCP-UHFFFAOYSA-N
MW362.41 g/mol
LogP5.09
Rot. Bonds5

About 7-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine

7-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 141245796) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is 7-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID141245796
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name7-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCC(C)Oc1ccc(Nc2ncc3ccn(-c4ccccc4F)c3n2)cc1
InChIInChI=1S/C21H19FN4O/c1-14(2)27-17-9-7-16(8-10-17)24-21-23-13-15-11-12-26(20(15)25-21)19-6-4-3-5-18(19)22/h3-14H,1-2H3,(H,23,24,25)
InChIKeyIXDLKSWYGUUDCP-UHFFFAOYSA-N
XLogP5.09
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.41
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 83736723
[2-chloro-4-[2-(4-propan-2-yloxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-thiomorpholin-4-ylmethanediol
CID 68990368
5-fluoro-4-N-(4-propan-2-yloxyphenyl)-2-N-pyrrol-1-ylpyrimidine-2,4-diamine
CID 22060323
2-N,4-N-bis(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905183
N-methyl-7-(2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 175930259
N-(4-fluoro-3-methylphenyl)-7-(3-fluorophenyl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 141245795
2-N-(2-propan-2-yloxyphenyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905145
3-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine
CID 60789932
N-(3-methoxy-4-methylphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-2-amine
CID 141245788
4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
CID 112905248
3-N-[(2-fluorophenyl)methyl]-5-N-(4-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112949802
6-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112873973

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 7-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine (CID 141245796) is 7-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 7-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 7-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine is CC(C)Oc1ccc(Nc2ncc3ccn(-c4ccccc4F)c3n2)cc1.
What is the InChIKey of 7-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is IXDLKSWYGUUDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c1-14(2)27-17-9-7-16(8-10-17)24-21-23-13-15-11-12-26(20(15)25-21)19-6-4-3-5-18(19)22/h3-14H,1-2H3,(H,23,24,25).
What are the key properties of 7-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
7-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 362.41 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 141245796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).