5-(1H-benzimidazol-2-ylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C16H14N6O2 — CID 16845574

IUPAC5-(1H-benzimidazol-2-ylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(Nc3nc4ccccc4[nH]3)ccnc2n(C)c1=O
InChIInChI=1S/C16H14N6O2/c1-21-13-12(14(23)22(2)16(21)24)11(7-8-17-13)20-15-18-9-5-3-4-6-10(9)19-15/h3-8H,1-2H3,(H2,17,18,19,20)
InChIKeyAUMSDCLGZSLJAU-UHFFFAOYSA-N
MW322.33 g/mol
LogP1.25
Rot. Bonds2

About 5-(1H-benzimidazol-2-ylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

5-(1H-benzimidazol-2-ylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 16845574) has the molecular formula C16H14N6O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-ylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-ylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID16845574
Molecular FormulaC16H14N6O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC Name5-(1H-benzimidazol-2-ylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(Nc3nc4ccccc4[nH]3)ccnc2n(C)c1=O
InChIInChI=1S/C16H14N6O2/c1-21-13-12(14(23)22(2)16(21)24)11(7-8-17-13)20-15-18-9-5-3-4-6-10(9)19-15/h3-8H,1-2H3,(H2,17,18,19,20)
InChIKeyAUMSDCLGZSLJAU-UHFFFAOYSA-N
XLogP1.25
TPSA97.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(1H-benzimidazol-2-ylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845418
1,3-dimethyl-5-(naphthalen-1-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16845519
1,3-dimethyl-5-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16845539
N-(2-methylphenyl)-1H-benzimidazol-2-amine
CID 923872
N-(2-methylphenyl)-1H-benzimidazol-2-amine;hydrochloride
CID 22288832
4-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]benzamide
CID 42475324
5-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845547
N-(2-chlorophenyl)-1H-benzimidazol-2-amine
CID 4088446
5-(2-hydroxyethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 14304689
1,3-dimethyl-5-(4-phenylbutan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16845484
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-(4-fluorophenyl)acetamide
CID 16841389
3-(1H-benzimidazol-2-ylamino)-1-methylpyrrolidine-2,5-dione
CID 63562926

Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-2-ylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(1H-benzimidazol-2-ylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 16845574) is 5-(1H-benzimidazol-2-ylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(1H-benzimidazol-2-ylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(1H-benzimidazol-2-ylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(Nc3nc4ccccc4[nH]3)ccnc2n(C)c1=O.
What is the InChIKey of 5-(1H-benzimidazol-2-ylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is AUMSDCLGZSLJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2/c1-21-13-12(14(23)22(2)16(21)24)11(7-8-17-13)20-15-18-9-5-3-4-6-10(9)19-15/h3-8H,1-2H3,(H2,17,18,19,20).
What are the key properties of 5-(1H-benzimidazol-2-ylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
5-(1H-benzimidazol-2-ylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 322.33 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-benzimidazol-2-ylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 16845574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).