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

C14H13N5O — CID 135617077

IUPAC2-amino-5-(benzyliminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESNc1nc2[nH]cc(/C=N/Cc3ccccc3)c2c(=O)[nH]1
InChIInChI=1S/C14H13N5O/c15-14-18-12-11(13(20)19-14)10(8-17-12)7-16-6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H4,15,17,18,19,20)/b16-7+
InChIKeyQKJFWDHYVBUASQ-FRKPEAEDSA-N
MW267.29 g/mol
LogP1.45
Rot. Bonds3

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

2-amino-5-(benzyliminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135617077) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-amino-5-(benzyliminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-5-(benzyliminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135617077
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name2-amino-5-(benzyliminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESNc1nc2[nH]cc(/C=N/Cc3ccccc3)c2c(=O)[nH]1
InChIInChI=1S/C14H13N5O/c15-14-18-12-11(13(20)19-14)10(8-17-12)7-16-6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H4,15,17,18,19,20)/b16-7+
InChIKeyQKJFWDHYVBUASQ-FRKPEAEDSA-N
XLogP1.45
TPSA99.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-amino-5-(benzyliminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-5-[(2,4-difluorophenyl)methyliminomethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135617079
2-amino-5-[(E)-hydroxyiminomethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 162687807
2-amino-5-benzyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 142732162
2-amino-5-[(E)-methoxyiminomethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 162687809
2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135398563
(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl-(2-phenylsulfanylethyl)azanium
CID 163832052
2-amino-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride
CID 165438335
(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl-(3-oxo-3-phenylpropyl)azanium
CID 169060181
2-amino-5-[[3-(trifluoromethyl)phenyl]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 142732159
2-amino-5-[(iodoamino)methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 137316542
3-[2-amino-6-oxo-5-(4-phenylbutyl)-1H-pyrimidin-4-yl]prop-2-enoic acid
CID 135532975
(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methyl-[2-(1-phenylcyclopropyl)ethyl]azanium
CID 169060184

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(benzyliminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-5-(benzyliminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 135617077) is 2-amino-5-(benzyliminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-5-(benzyliminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-5-(benzyliminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is Nc1nc2[nH]cc(/C=N/Cc3ccccc3)c2c(=O)[nH]1.
What is the InChIKey of 2-amino-5-(benzyliminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is QKJFWDHYVBUASQ-FRKPEAEDSA-N. The full InChI is InChI=1S/C14H13N5O/c15-14-18-12-11(13(20)19-14)10(8-17-12)7-16-6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H4,15,17,18,19,20)/b16-7+.
What are the key properties of 2-amino-5-(benzyliminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
2-amino-5-(benzyliminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 267.29 g/mol, XLogP of 1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(benzyliminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135617077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).