6-benzyl-1-methylpyrido[2,3-d]pyrimidine-2,4-dione

C15H13N3O2 — CID 12028356

IUPAC6-benzyl-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(=O)c2cc(Cc3ccccc3)cnc21
InChIInChI=1S/C15H13N3O2/c1-18-13-12(14(19)17-15(18)20)8-11(9-16-13)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,17,19,20)
InChIKeyMKRFMQBARGFYPE-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.21
Rot. Bonds2

About 6-benzyl-1-methylpyrido[2,3-d]pyrimidine-2,4-dione

6-benzyl-1-methylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 12028356) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 6-benzyl-1-methylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-benzyl-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID12028356
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name6-benzyl-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(=O)c2cc(Cc3ccccc3)cnc21
InChIInChI=1S/C15H13N3O2/c1-18-13-12(14(19)17-15(18)20)8-11(9-16-13)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,17,19,20)
InChIKeyMKRFMQBARGFYPE-UHFFFAOYSA-N
XLogP1.21
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-6-[(propan-2-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 63772557
6-benzyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 12028355
1-(3-benzylphenyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
CID 141214765
6-(4-fluorophenyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
CID 110171943
N-(1-benzylpiperidin-4-yl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 24632331
1-phenylpropyl 1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 167981393
6-(3,3-dimethylindol-2-yl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
CID 139220049
6-(aminomethyl)-1-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 63773438
1-benzyl-6-(3,4-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 110171948
6-benzyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 163926898
3-methyl-8-(2-phenylethyl)-7H-purine-2,6-dione
CID 115925676
8-[benzyl(methyl)amino]-3-methyl-7-(2-methylpropyl)purine-2,6-dione
CID 839599

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-1-methylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-benzyl-1-methylpyrido[2,3-d]pyrimidine-2,4-dione (CID 12028356) is 6-benzyl-1-methylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-benzyl-1-methylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-benzyl-1-methylpyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)[nH]c(=O)c2cc(Cc3ccccc3)cnc21.
What is the InChIKey of 6-benzyl-1-methylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is MKRFMQBARGFYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-18-13-12(14(19)17-15(18)20)8-11(9-16-13)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,17,19,20).
What are the key properties of 6-benzyl-1-methylpyrido[2,3-d]pyrimidine-2,4-dione?
6-benzyl-1-methylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 267.29 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-1-methylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 12028356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).