2-amino-6-(4-bromophenyl)-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C18H13BrN4O — CID 135566679

IUPAC2-amino-6-(4-bromophenyl)-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESNc1nc2[nH]c(-c3ccc(Br)cc3)c(-c3ccccc3)c2c(=O)[nH]1
InChIInChI=1S/C18H13BrN4O/c19-12-8-6-11(7-9-12)15-13(10-4-2-1-3-5-10)14-16(21-15)22-18(20)23-17(14)24/h1-9H,(H4,20,21,22,23,24)
InChIKeyQRTLRDCVNXIKGA-UHFFFAOYSA-N
MW381.23 g/mol
LogP3.93
Rot. Bonds2

About 2-amino-6-(4-bromophenyl)-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

2-amino-6-(4-bromophenyl)-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135566679) has the molecular formula C18H13BrN4O and a molecular weight of 381.23 g/mol. Its IUPAC name is 2-amino-6-(4-bromophenyl)-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-(4-bromophenyl)-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135566679
Molecular FormulaC18H13BrN4O
Molecular Weight381.23 g/mol
Exact Mass380.03
IUPAC Name2-amino-6-(4-bromophenyl)-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESNc1nc2[nH]c(-c3ccc(Br)cc3)c(-c3ccccc3)c2c(=O)[nH]1
InChIInChI=1S/C18H13BrN4O/c19-12-8-6-11(7-9-12)15-13(10-4-2-1-3-5-10)14-16(21-15)22-18(20)23-17(14)24/h1-9H,(H4,20,21,22,23,24)
InChIKeyQRTLRDCVNXIKGA-UHFFFAOYSA-N
XLogP3.93
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-5,6-Diphenyl-3h-Pyrrolo[2,3-D]pyrimidin-4(7h)-One
CID 135566678
2-amino-4-oxo-6-phenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 135566498
2-Amino-5-Phenethyl-6-Phenyl-3h-Pyrrolo[2,3-D]pyrimidin-4(7h)-One
CID 135566680
6-Benzoyl-5-(3,5-dibromophenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136219307
6-(4-Bromobenzoyl)-5-(3,5-dibromophenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136239471
6-Benzoyl-5-(3-bromophenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136244483
6-Benzoyl-5-(6-bromo-2-pyridinyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136254433
2-amino-6-(4-ethylphenyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 135884568
2-Amino-6-(4-fluorophenyl)-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136862205
2-Amino-5,6-bis(4-fluorophenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 137100789
2-Amino-5,6-bis(4-chlorophenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 137100790
2-Amino-5,6-bis(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 137100792

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-bromophenyl)-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-(4-bromophenyl)-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 135566679) is 2-amino-6-(4-bromophenyl)-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-(4-bromophenyl)-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-(4-bromophenyl)-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is Nc1nc2[nH]c(-c3ccc(Br)cc3)c(-c3ccccc3)c2c(=O)[nH]1.
What is the InChIKey of 2-amino-6-(4-bromophenyl)-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is QRTLRDCVNXIKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN4O/c19-12-8-6-11(7-9-12)15-13(10-4-2-1-3-5-10)14-16(21-15)22-18(20)23-17(14)24/h1-9H,(H4,20,21,22,23,24).
What are the key properties of 2-amino-6-(4-bromophenyl)-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
2-amino-6-(4-bromophenyl)-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 381.23 g/mol, XLogP of 3.93, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-bromophenyl)-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135566679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).