2-amino-7-[(2-ethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

C15H16N4O2 — CID 142963329

IUPAC2-amino-7-[(2-ethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESCCOc1ccccc1Cc1c[nH]c2c(=O)[nH]c(N)nc12
InChIInChI=1S/C15H16N4O2/c1-2-21-11-6-4-3-5-9(11)7-10-8-17-13-12(10)18-15(16)19-14(13)20/h3-6,8,17H,2,7H2,1H3,(H3,16,18,19,20)
InChIKeyDYVOPUORMGTWTG-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.82
Rot. Bonds4

About 2-amino-7-[(2-ethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

2-amino-7-[(2-ethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 142963329) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-amino-7-[(2-ethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-[(2-ethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID142963329
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-amino-7-[(2-ethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESCCOc1ccccc1Cc1c[nH]c2c(=O)[nH]c(N)nc12
InChIInChI=1S/C15H16N4O2/c1-2-21-11-6-4-3-5-9(11)7-10-8-17-13-12(10)18-15(16)19-14(13)20/h3-6,8,17H,2,7H2,1H3,(H3,16,18,19,20)
InChIKeyDYVOPUORMGTWTG-UHFFFAOYSA-N
XLogP1.82
TPSA96.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[(2-ethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-[(2-ethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 142963329) is 2-amino-7-[(2-ethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-[(2-ethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-[(2-ethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is CCOc1ccccc1Cc1c[nH]c2c(=O)[nH]c(N)nc12.
What is the InChIKey of 2-amino-7-[(2-ethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is DYVOPUORMGTWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-2-21-11-6-4-3-5-9(11)7-10-8-17-13-12(10)18-15(16)19-14(13)20/h3-6,8,17H,2,7H2,1H3,(H3,16,18,19,20).
What are the key properties of 2-amino-7-[(2-ethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
2-amino-7-[(2-ethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 284.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[(2-ethoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 142963329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).