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

C13H10Cl2N4O — CID 135412825

IUPAC2-amino-7-[(3,4-dichlorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(Cc3ccc(Cl)c(Cl)c3)c[nH]c2c(=O)[nH]1
InChIInChI=1S/C13H10Cl2N4O/c14-8-2-1-6(4-9(8)15)3-7-5-17-11-10(7)18-13(16)19-12(11)20/h1-2,4-5,17H,3H2,(H3,16,18,19,20)
InChIKeyFVPGRDMKNFHMAJ-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.73
Rot. Bonds2

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

2-amino-7-[(3,4-dichlorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135412825) has the molecular formula C13H10Cl2N4O and a molecular weight of 309.16 g/mol. Its IUPAC name is 2-amino-7-[(3,4-dichlorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-[(3,4-dichlorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135412825
Molecular FormulaC13H10Cl2N4O
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name2-amino-7-[(3,4-dichlorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(Cc3ccc(Cl)c(Cl)c3)c[nH]c2c(=O)[nH]1
InChIInChI=1S/C13H10Cl2N4O/c14-8-2-1-6(4-9(8)15)3-7-5-17-11-10(7)18-13(16)19-12(11)20/h1-2,4-5,17H,3H2,(H3,16,18,19,20)
InChIKeyFVPGRDMKNFHMAJ-UHFFFAOYSA-N
XLogP2.73
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[(3,4-dichlorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-[(3,4-dichlorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 135412825) is 2-amino-7-[(3,4-dichlorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-[(3,4-dichlorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-[(3,4-dichlorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is Nc1nc2c(Cc3ccc(Cl)c(Cl)c3)c[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-amino-7-[(3,4-dichlorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is FVPGRDMKNFHMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4O/c14-8-2-1-6(4-9(8)15)3-7-5-17-11-10(7)18-13(16)19-12(11)20/h1-2,4-5,17H,3H2,(H3,16,18,19,20).
What are the key properties of 2-amino-7-[(3,4-dichlorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
2-amino-7-[(3,4-dichlorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 309.16 g/mol, XLogP of 2.73, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[(3,4-dichlorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135412825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).