3-(2-amino-4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)-3-phenylpropanamide

C15H15N5O2 — CID 135726993

IUPAC3-(2-amino-4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)-3-phenylpropanamide
SMILESNC(=O)CC(c1ccccc1)c1c[nH]c2c(=O)[nH]c(N)nc12
InChIInChI=1S/C15H15N5O2/c16-11(21)6-9(8-4-2-1-3-5-8)10-7-18-13-12(10)19-15(17)20-14(13)22/h1-5,7,9,18H,6H2,(H2,16,21)(H3,17,19,20,22)
InChIKeyMGVNWVRFYLTILM-UHFFFAOYSA-N
MW297.32 g/mol
LogP0.84
Rot. Bonds4

About 3-(2-amino-4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)-3-phenylpropanamide

3-(2-amino-4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)-3-phenylpropanamide (PubChem CID 135726993) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 3-(2-amino-4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-(2-amino-4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)-3-phenylpropanamide
PubChem CID135726993
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name3-(2-amino-4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)-3-phenylpropanamide
SMILESNC(=O)CC(c1ccccc1)c1c[nH]c2c(=O)[nH]c(N)nc12
InChIInChI=1S/C15H15N5O2/c16-11(21)6-9(8-4-2-1-3-5-8)10-7-18-13-12(10)19-15(17)20-14(13)22/h1-5,7,9,18H,6H2,(H2,16,21)(H3,17,19,20,22)
InChIKeyMGVNWVRFYLTILM-UHFFFAOYSA-N
XLogP0.84
TPSA130.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 50.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)-3-phenylpropanamide?
The IUPAC name of 3-(2-amino-4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)-3-phenylpropanamide (CID 135726993) is 3-(2-amino-4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)-3-phenylpropanamide.
What is the SMILES notation for 3-(2-amino-4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)-3-phenylpropanamide?
The canonical SMILES for 3-(2-amino-4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)-3-phenylpropanamide is NC(=O)CC(c1ccccc1)c1c[nH]c2c(=O)[nH]c(N)nc12.
What is the InChIKey of 3-(2-amino-4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)-3-phenylpropanamide?
The InChIKey is MGVNWVRFYLTILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c16-11(21)6-9(8-4-2-1-3-5-8)10-7-18-13-12(10)19-15(17)20-14(13)22/h1-5,7,9,18H,6H2,(H2,16,21)(H3,17,19,20,22).
What are the key properties of 3-(2-amino-4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)-3-phenylpropanamide?
3-(2-amino-4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)-3-phenylpropanamide has a molecular weight of 297.32 g/mol, XLogP of 0.84, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)-3-phenylpropanamide is sourced from PubChem (CID 135726993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).