5-(1H-benzimidazol-2-ylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C18H18N6O2 — CID 16845418

IUPAC5-(1H-benzimidazol-2-ylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCc1cnc2c(c1Nc1nc3ccccc3[nH]1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C18H18N6O2/c1-4-10-9-19-15-13(16(25)24(3)18(26)23(15)2)14(10)22-17-20-11-7-5-6-8-12(11)21-17/h5-9H,4H2,1-3H3,(H2,19,20,21,22)
InChIKeyFSFFRMMKBDVKDW-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.81
Rot. Bonds3

About 5-(1H-benzimidazol-2-ylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

5-(1H-benzimidazol-2-ylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 16845418) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-ylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-ylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID16845418
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name5-(1H-benzimidazol-2-ylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCc1cnc2c(c1Nc1nc3ccccc3[nH]1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C18H18N6O2/c1-4-10-9-19-15-13(16(25)24(3)18(26)23(15)2)14(10)22-17-20-11-7-5-6-8-12(11)21-17/h5-9H,4H2,1-3H3,(H2,19,20,21,22)
InChIKeyFSFFRMMKBDVKDW-UHFFFAOYSA-N
XLogP1.81
TPSA97.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(1H-benzimidazol-2-ylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

5-(1H-benzimidazol-2-ylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845574
5-(cycloheptylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845292
5-(2,5-difluoroanilino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845356
5-(3-acetylanilino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845344
N-(2-ethyl-6-methylphenyl)-1H-benzimidazol-2-amine
CID 923999
5-(2,2-dimethoxyethylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845281
N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)furan-2-carboxamide
CID 16840961
N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-(4-methoxyphenyl)acetamide
CID 16840940
2-cyclohexyl-N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide
CID 16840851
1,3,6-trimethyl-5-(2-methylsulfanylanilino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16845153
N-tert-butyl-2-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
CID 7424373
N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-2-phenylbutanamide
CID 16841101

Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-2-ylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(1H-benzimidazol-2-ylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 16845418) is 5-(1H-benzimidazol-2-ylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(1H-benzimidazol-2-ylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(1H-benzimidazol-2-ylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is CCc1cnc2c(c1Nc1nc3ccccc3[nH]1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 5-(1H-benzimidazol-2-ylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is FSFFRMMKBDVKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-4-10-9-19-15-13(16(25)24(3)18(26)23(15)2)14(10)22-17-20-11-7-5-6-8-12(11)21-17/h5-9H,4H2,1-3H3,(H2,19,20,21,22).
What are the key properties of 5-(1H-benzimidazol-2-ylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
5-(1H-benzimidazol-2-ylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 350.38 g/mol, XLogP of 1.81, 3 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)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 16845418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).