6-amino-5-[(5-hydroxybenzo[a]phenazin-6-yl)-phenylmethyl]-1,3-dimethylpyrimidine-2,4-dione

C29H23N5O3 — CID 139221302

IUPAC6-amino-5-[(5-hydroxybenzo[a]phenazin-6-yl)-phenylmethyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(C(c2ccccc2)c2c(O)c3ccccc3c3nc4ccccc4nc23)c(=O)n(C)c1=O
InChIInChI=1S/C29H23N5O3/c1-33-27(30)23(28(36)34(2)29(33)37)21(16-10-4-3-5-11-16)22-25-24(17-12-6-7-13-18(17)26(22)35)31-19-14-8-9-15-20(19)32-25/h3-15,21,35H,30H2,1-2H3
InChIKeyOEZGCFLNYUZOTA-UHFFFAOYSA-N
MW489.54 g/mol
LogP3.80
Rot. Bonds3

About 6-amino-5-[(5-hydroxybenzo[a]phenazin-6-yl)-phenylmethyl]-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-[(5-hydroxybenzo[a]phenazin-6-yl)-phenylmethyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 139221302) has the molecular formula C29H23N5O3 and a molecular weight of 489.54 g/mol. Its IUPAC name is 6-amino-5-[(5-hydroxybenzo[a]phenazin-6-yl)-phenylmethyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(5-hydroxybenzo[a]phenazin-6-yl)-phenylmethyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID139221302
Molecular FormulaC29H23N5O3
Molecular Weight489.54 g/mol
Exact Mass489.18
IUPAC Name6-amino-5-[(5-hydroxybenzo[a]phenazin-6-yl)-phenylmethyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(C(c2ccccc2)c2c(O)c3ccccc3c3nc4ccccc4nc23)c(=O)n(C)c1=O
InChIInChI=1S/C29H23N5O3/c1-33-27(30)23(28(36)34(2)29(33)37)21(16-10-4-3-5-11-16)22-25-24(17-12-6-7-13-18(17)26(22)35)31-19-14-8-9-15-20(19)32-25/h3-15,21,35H,30H2,1-2H3
InChIKeyOEZGCFLNYUZOTA-UHFFFAOYSA-N
XLogP3.80
TPSA116.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.54
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6666_A(2)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-amino-5-[(4-chlorophenyl)-(5-hydroxybenzo[a]phenazin-6-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 139221303
6-amino-5-(2-amino-1-phenylethyl)-1,3-dimethylpyrimidine-2,4-dione
CID 45496500
6-amino-5-[cyclohexyl-(4-hydroxy-2-oxochromen-3-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 139221272
3-[(4-fluorophenyl)-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)methyl]-4-hydroxy-1-methylquinolin-2-one
CID 54682941
7-(5-hydroxy-9,10-dimethylbenzo[a]phenazin-6-yl)-1,3-dimethyl-5-phenyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine-2,4-dione
CID 163201181
6-amino-1,3-dimethyl-5-[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]pyrimidine-2,4-dione
CID 42973460
6-amino-1,3-dimethyl-5-(2-pyridin-2-ylquinoline-4-carbonyl)pyrimidine-2,4-dione
CID 2374294
9-benzhydrylacridine
CID 71328841
6-amino-1-benzyl-3-methyl-5-[2-(4-methylquinolin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
CID 4644691
6-amino-3-methyl-5-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 4304150
6-amino-1,3-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
CID 3922487
2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide
CID 46690378

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(5-hydroxybenzo[a]phenazin-6-yl)-phenylmethyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(5-hydroxybenzo[a]phenazin-6-yl)-phenylmethyl]-1,3-dimethylpyrimidine-2,4-dione (CID 139221302) is 6-amino-5-[(5-hydroxybenzo[a]phenazin-6-yl)-phenylmethyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(5-hydroxybenzo[a]phenazin-6-yl)-phenylmethyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(5-hydroxybenzo[a]phenazin-6-yl)-phenylmethyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(N)c(C(c2ccccc2)c2c(O)c3ccccc3c3nc4ccccc4nc23)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[(5-hydroxybenzo[a]phenazin-6-yl)-phenylmethyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is OEZGCFLNYUZOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N5O3/c1-33-27(30)23(28(36)34(2)29(33)37)21(16-10-4-3-5-11-16)22-25-24(17-12-6-7-13-18(17)26(22)35)31-19-14-8-9-15-20(19)32-25/h3-15,21,35H,30H2,1-2H3.
What are the key properties of 6-amino-5-[(5-hydroxybenzo[a]phenazin-6-yl)-phenylmethyl]-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-[(5-hydroxybenzo[a]phenazin-6-yl)-phenylmethyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 489.54 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(5-hydroxybenzo[a]phenazin-6-yl)-phenylmethyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 139221302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).