5-fluoro-N-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C9H11FN4 — CID 174832913

IUPAC5-fluoro-N-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCCNc1ncnc2[nH]cc(F)c12
InChIInChI=1S/C9H11FN4/c1-2-3-11-8-7-6(10)4-12-9(7)14-5-13-8/h4-5H,2-3H2,1H3,(H2,11,12,13,14)
InChIKeyPZNVGBOBNSUDEN-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.92
Rot. Bonds3

About 5-fluoro-N-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

5-fluoro-N-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 174832913) has the molecular formula C9H11FN4 and a molecular weight of 194.21 g/mol. Its IUPAC name is 5-fluoro-N-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID174832913
Molecular FormulaC9H11FN4
Molecular Weight194.21 g/mol
Exact Mass194.10
IUPAC Name5-fluoro-N-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCCNc1ncnc2[nH]cc(F)c12
InChIInChI=1S/C9H11FN4/c1-2-3-11-8-7-6(10)4-12-9(7)14-5-13-8/h4-5H,2-3H2,1H3,(H2,11,12,13,14)
InChIKeyPZNVGBOBNSUDEN-UHFFFAOYSA-N
XLogP1.92
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 155187523
1-[4-(butylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]ethanol
CID 164977527
N-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 170556578
N-ethyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 151906166
2-methyl-1-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 175667994
5-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80772654
5-methyl-4-propyl-7H-pyrrolo[2,3-d]pyrimidine
CID 174580185
butane;ethane;5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 144752647
1-(2-fluorophenyl)-3-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110432093
4-N-(2,6-difluoro-3-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 82802010
N-[(2-tert-butyloxolan-2-yl)methyl]-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167865422
5-ethyl-4-N-(2-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80833383

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-N-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 174832913) is 5-fluoro-N-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CCCNc1ncnc2[nH]cc(F)c12.
What is the InChIKey of 5-fluoro-N-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is PZNVGBOBNSUDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN4/c1-2-3-11-8-7-6(10)4-12-9(7)14-5-13-8/h4-5H,2-3H2,1H3,(H2,11,12,13,14).
What are the key properties of 5-fluoro-N-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
5-fluoro-N-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 194.21 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 174832913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).