2-amino-7-[(1R)-1-(2-fluorophenyl)ethyl]-3,4a,7,7a-tetrahydropyrrolo[3,2-d]pyrimidin-4-one

C14H15FN4O — CID 91256497

IUPAC2-amino-7-[(1R)-1-(2-fluorophenyl)ethyl]-3,4a,7,7a-tetrahydropyrrolo[3,2-d]pyrimidin-4-one
SMILESC[C@@H](c1ccccc1F)C1C=NC2C(=O)NC(N)=NC21
InChIInChI=1S/C14H15FN4O/c1-7(8-4-2-3-5-10(8)15)9-6-17-12-11(9)18-14(16)19-13(12)20/h2-7,9,11-12H,1H3,(H3,16,18,19,20)/t7-,9?,11?,12?/m0/s1
InChIKeyDBVZMOUJVYMTFL-ZUGNDZKCSA-N
MW274.30 g/mol
LogP0.81
Rot. Bonds2

About 2-amino-7-[(1R)-1-(2-fluorophenyl)ethyl]-3,4a,7,7a-tetrahydropyrrolo[3,2-d]pyrimidin-4-one

2-amino-7-[(1R)-1-(2-fluorophenyl)ethyl]-3,4a,7,7a-tetrahydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 91256497) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-amino-7-[(1R)-1-(2-fluorophenyl)ethyl]-3,4a,7,7a-tetrahydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-[(1R)-1-(2-fluorophenyl)ethyl]-3,4a,7,7a-tetrahydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID91256497
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name2-amino-7-[(1R)-1-(2-fluorophenyl)ethyl]-3,4a,7,7a-tetrahydropyrrolo[3,2-d]pyrimidin-4-one
SMILESC[C@@H](c1ccccc1F)C1C=NC2C(=O)NC(N)=NC21
InChIInChI=1S/C14H15FN4O/c1-7(8-4-2-3-5-10(8)15)9-6-17-12-11(9)18-14(16)19-13(12)20/h2-7,9,11-12H,1H3,(H3,16,18,19,20)/t7-,9?,11?,12?/m0/s1
InChIKeyDBVZMOUJVYMTFL-ZUGNDZKCSA-N
XLogP0.81
TPSA79.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[(1R)-1-(2-fluorophenyl)ethyl]-3,4a,7,7a-tetrahydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-[(1R)-1-(2-fluorophenyl)ethyl]-3,4a,7,7a-tetrahydropyrrolo[3,2-d]pyrimidin-4-one (CID 91256497) is 2-amino-7-[(1R)-1-(2-fluorophenyl)ethyl]-3,4a,7,7a-tetrahydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-[(1R)-1-(2-fluorophenyl)ethyl]-3,4a,7,7a-tetrahydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-[(1R)-1-(2-fluorophenyl)ethyl]-3,4a,7,7a-tetrahydropyrrolo[3,2-d]pyrimidin-4-one is C[C@@H](c1ccccc1F)C1C=NC2C(=O)NC(N)=NC21.
What is the InChIKey of 2-amino-7-[(1R)-1-(2-fluorophenyl)ethyl]-3,4a,7,7a-tetrahydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is DBVZMOUJVYMTFL-ZUGNDZKCSA-N. The full InChI is InChI=1S/C14H15FN4O/c1-7(8-4-2-3-5-10(8)15)9-6-17-12-11(9)18-14(16)19-13(12)20/h2-7,9,11-12H,1H3,(H3,16,18,19,20)/t7-,9?,11?,12?/m0/s1.
What are the key properties of 2-amino-7-[(1R)-1-(2-fluorophenyl)ethyl]-3,4a,7,7a-tetrahydropyrrolo[3,2-d]pyrimidin-4-one?
2-amino-7-[(1R)-1-(2-fluorophenyl)ethyl]-3,4a,7,7a-tetrahydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 274.30 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[(1R)-1-(2-fluorophenyl)ethyl]-3,4a,7,7a-tetrahydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 91256497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).