5-fluoro-2-methyl-7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidin-4-amine

C7H9FN4 — CID 166698168

IUPAC5-fluoro-2-methyl-7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC1=NC2NC=C(F)C2C(N)=N1
InChIInChI=1S/C7H9FN4/c1-3-11-6(9)5-4(8)2-10-7(5)12-3/h2,5,7,10H,1H3,(H2,9,11,12)
InChIKeyPYLSGGDTTBEBGS-UHFFFAOYSA-N
MW168.17 g/mol
LogP0.13
Rot. Bonds

About 5-fluoro-2-methyl-7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidin-4-amine

5-fluoro-2-methyl-7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 166698168) has the molecular formula C7H9FN4 and a molecular weight of 168.17 g/mol. Its IUPAC name is 5-fluoro-2-methyl-7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-methyl-7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID166698168
Molecular FormulaC7H9FN4
Molecular Weight168.17 g/mol
Exact Mass168.08
IUPAC Name5-fluoro-2-methyl-7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC1=NC2NC=C(F)C2C(N)=N1
InChIInChI=1S/C7H9FN4/c1-3-11-6(9)5-4(8)2-10-7(5)12-3/h2,5,7,10H,1H3,(H2,9,11,12)
InChIKeyPYLSGGDTTBEBGS-UHFFFAOYSA-N
XLogP0.13
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-methyl-7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidin-4-amine (CID 166698168) is 5-fluoro-2-methyl-7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-methyl-7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-methyl-7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidin-4-amine is CC1=NC2NC=C(F)C2C(N)=N1.
What is the InChIKey of 5-fluoro-2-methyl-7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is PYLSGGDTTBEBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN4/c1-3-11-6(9)5-4(8)2-10-7(5)12-3/h2,5,7,10H,1H3,(H2,9,11,12).
What are the key properties of 5-fluoro-2-methyl-7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidin-4-amine?
5-fluoro-2-methyl-7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 168.17 g/mol, XLogP of 0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 166698168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).