2-amino-5,6-diphenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C18H14N4O — CID 135566678

IUPAC2-amino-5,6-diphenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESNc1nc2[nH]c(-c3ccccc3)c(-c3ccccc3)c2c(=O)[nH]1
InChIInChI=1S/C18H14N4O/c19-18-21-16-14(17(23)22-18)13(11-7-3-1-4-8-11)15(20-16)12-9-5-2-6-10-12/h1-10H,(H4,19,20,21,22,23)
InChIKeyXTJRPOFKSXCKPF-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.17
Rot. Bonds2

About 2-amino-5,6-diphenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

2-amino-5,6-diphenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135566678) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-amino-5,6-diphenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-5,6-diphenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135566678
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name2-amino-5,6-diphenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESNc1nc2[nH]c(-c3ccccc3)c(-c3ccccc3)c2c(=O)[nH]1
InChIInChI=1S/C18H14N4O/c19-18-21-16-14(17(23)22-18)13(11-7-3-1-4-8-11)15(20-16)12-9-5-2-6-10-12/h1-10H,(H4,19,20,21,22,23)
InChIKeyXTJRPOFKSXCKPF-UHFFFAOYSA-N
XLogP3.17
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135531129
6-benzoyl-2-[3-(methylsulfanyl)propyl]-5-phenyl-1H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 137226418
6-[2-((E)-Styryl)-pyridin-4-yl]-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
CID 135441367
2-Amino-6-[2-((E)-styryl)-pyridin-4-yl]-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
CID 135524106
Pyrrolo-pyrimidone, 12
CID 135524115
Pyrrolo-pyrimidone, 9
CID 135524117
2-Benzyl-6-[2-((E)-styryl)-pyridin-4-yl]-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
CID 135524134
(E)-2-Amino-4-Oxo-6-Styryl-4,7-Dihydro-3h-Pyrrolo[2,3-D]pyrimidine-5-Carbonitrile
CID 135566677
2-amino-4-oxo-6-phenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 135566498
2-Amino-6-(4-Bromophenyl)-5-Phenyl-3h-Pyrrolo[2,3-D]pyrimidin-4(7h)-One
CID 135566679
2-Amino-5-Phenethyl-6-Phenyl-3h-Pyrrolo[2,3-D]pyrimidin-4(7h)-One
CID 135566680
N-[3-[3-ethyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide
CID 145945998

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,6-diphenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-5,6-diphenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 135566678) is 2-amino-5,6-diphenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-5,6-diphenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-5,6-diphenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is Nc1nc2[nH]c(-c3ccccc3)c(-c3ccccc3)c2c(=O)[nH]1.
What is the InChIKey of 2-amino-5,6-diphenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is XTJRPOFKSXCKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c19-18-21-16-14(17(23)22-18)13(11-7-3-1-4-8-11)15(20-16)12-9-5-2-6-10-12/h1-10H,(H4,19,20,21,22,23).
What are the key properties of 2-amino-5,6-diphenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
2-amino-5,6-diphenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 302.34 g/mol, XLogP of 3.17, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,6-diphenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135566678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).