6-(benzylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C16H16N4O2 — CID 154751912

IUPAC6-(benzylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2cc(NCc3ccccc3)cnc2n(C)c1=O
InChIInChI=1S/C16H16N4O2/c1-19-14-13(15(21)20(2)16(19)22)8-12(10-18-14)17-9-11-6-4-3-5-7-11/h3-8,10,17H,9H2,1-2H3
InChIKeyITPPILCQEIGTBD-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.24
Rot. Bonds3

About 6-(benzylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

6-(benzylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 154751912) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 6-(benzylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(benzylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID154751912
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name6-(benzylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2cc(NCc3ccccc3)cnc2n(C)c1=O
InChIInChI=1S/C16H16N4O2/c1-19-14-13(15(21)20(2)16(19)22)8-12(10-18-14)17-9-11-6-4-3-5-7-11/h3-8,10,17H,9H2,1-2H3
InChIKeyITPPILCQEIGTBD-UHFFFAOYSA-N
XLogP1.24
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-phenylbutanamide
CID 134008986
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-naphthalen-2-ylacetamide
CID 134009089
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 55457131
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 134009028
1-benzyl-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 134009055
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 134009111
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-fluorophenyl)propanamide
CID 55457312
6-(benzylamino)-5-iodo-1,3-dimethylpyrimidine-2,4-dione
CID 72696483
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55582809
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3,3,3-trifluoropropanamide
CID 132971059
3-(2-chlorophenyl)sulfanyl-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
CID 134008966
3-(3,4-difluorophenyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
CID 55607526

Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(benzylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 154751912) is 6-(benzylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(benzylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(benzylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2cc(NCc3ccccc3)cnc2n(C)c1=O.
What is the InChIKey of 6-(benzylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ITPPILCQEIGTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-19-14-13(15(21)20(2)16(19)22)8-12(10-18-14)17-9-11-6-4-3-5-7-11/h3-8,10,17H,9H2,1-2H3.
What are the key properties of 6-(benzylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
6-(benzylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 296.33 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 154751912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).