7-anilino-1,3-dimethyl-2,4-dioxopteridine-6-carbonitrile

C15H12N6O2 — CID 110172068

IUPAC7-anilino-1,3-dimethyl-2,4-dioxopteridine-6-carbonitrile
SMILESCn1c(=O)c2nc(C#N)c(Nc3ccccc3)nc2n(C)c1=O
InChIInChI=1S/C15H12N6O2/c1-20-13-11(14(22)21(2)15(20)23)18-10(8-16)12(19-13)17-9-6-4-3-5-7-9/h3-7H,1-2H3,(H,17,19)
InChIKeyLOOOHPVFQFTNKH-UHFFFAOYSA-N
MW308.30 g/mol
LogP0.64
Rot. Bonds2

About 7-anilino-1,3-dimethyl-2,4-dioxopteridine-6-carbonitrile

7-anilino-1,3-dimethyl-2,4-dioxopteridine-6-carbonitrile (PubChem CID 110172068) has the molecular formula C15H12N6O2 and a molecular weight of 308.30 g/mol. Its IUPAC name is 7-anilino-1,3-dimethyl-2,4-dioxopteridine-6-carbonitrile.

Molecular Properties

Compound Name7-anilino-1,3-dimethyl-2,4-dioxopteridine-6-carbonitrile
PubChem CID110172068
Molecular FormulaC15H12N6O2
Molecular Weight308.30 g/mol
Exact Mass308.10
IUPAC Name7-anilino-1,3-dimethyl-2,4-dioxopteridine-6-carbonitrile
SMILESCn1c(=O)c2nc(C#N)c(Nc3ccccc3)nc2n(C)c1=O
InChIInChI=1S/C15H12N6O2/c1-20-13-11(14(22)21(2)15(20)23)18-10(8-16)12(19-13)17-9-6-4-3-5-7-9/h3-7H,1-2H3,(H,17,19)
InChIKeyLOOOHPVFQFTNKH-UHFFFAOYSA-N
XLogP0.64
TPSA105.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

7-imidazol-1-yl-1,3-dimethyl-2,4-dioxopteridine-6-carbonitrile
CID 110171650
(5,7-dimethyl-6,8-dioxo-2-phenylpyrimido[4,5-e][1,2,4]triazin-3-ylidene)cyanamide
CID 101362136
2-(6-cyano-1,3-dimethyl-2,4-dioxopteridin-7-yl)-2-ethylsulfanylacetic acid
CID 69443554
7-amino-5-anilino-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 2786085
3-(2-aminoanilino)-5,7-dimethylpyrimido[4,5-e][1,2,4]triazine-6,8-dione
CID 6416712
1,3-dimethyl-7-phenyl-6-pyridin-1-ium-1-ylpteridine-2,4-dione
CID 110171741
1,3-dimethyl-7-(4-phenylphenyl)pteridine-2,4-dione
CID 71399040
2,8,9-trimethyl-N-phenylpurin-6-amine
CID 13439238
1,3-dimethyl-6,7-bis[2-tri(propan-2-yl)silylethynyl]pteridine-2,4-dione
CID 15372365
1,3,7-trimethyl-2,4-dioxopteridine-6-carboxylic acid
CID 15359662
6-anilino-9-ethylpurine-2-carbonitrile
CID 68620644
8-anilino-7-[(Z)-3-chlorobut-2-enyl]-1,3-dimethylpurine-2,6-dione
CID 1084952

Frequently Asked Questions

What is the IUPAC name of 7-anilino-1,3-dimethyl-2,4-dioxopteridine-6-carbonitrile?
The IUPAC name of 7-anilino-1,3-dimethyl-2,4-dioxopteridine-6-carbonitrile (CID 110172068) is 7-anilino-1,3-dimethyl-2,4-dioxopteridine-6-carbonitrile.
What is the SMILES notation for 7-anilino-1,3-dimethyl-2,4-dioxopteridine-6-carbonitrile?
The canonical SMILES for 7-anilino-1,3-dimethyl-2,4-dioxopteridine-6-carbonitrile is Cn1c(=O)c2nc(C#N)c(Nc3ccccc3)nc2n(C)c1=O.
What is the InChIKey of 7-anilino-1,3-dimethyl-2,4-dioxopteridine-6-carbonitrile?
The InChIKey is LOOOHPVFQFTNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O2/c1-20-13-11(14(22)21(2)15(20)23)18-10(8-16)12(19-13)17-9-6-4-3-5-7-9/h3-7H,1-2H3,(H,17,19).
What are the key properties of 7-anilino-1,3-dimethyl-2,4-dioxopteridine-6-carbonitrile?
7-anilino-1,3-dimethyl-2,4-dioxopteridine-6-carbonitrile has a molecular weight of 308.30 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-anilino-1,3-dimethyl-2,4-dioxopteridine-6-carbonitrile is sourced from PubChem (CID 110172068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).