1-methyl-3-(quinolin-4-ylmethyl)pyrimidine-2,4-dione

C15H13N3O2 — CID 79241293

IUPAC1-methyl-3-(quinolin-4-ylmethyl)pyrimidine-2,4-dione
SMILESCn1ccc(=O)n(Cc2ccnc3ccccc23)c1=O
InChIInChI=1S/C15H13N3O2/c1-17-9-7-14(19)18(15(17)20)10-11-6-8-16-13-5-3-2-4-12(11)13/h2-9H,10H2,1H3
InChIKeyIERXDYKMRBUWBP-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.14
Rot. Bonds2

About 1-methyl-3-(quinolin-4-ylmethyl)pyrimidine-2,4-dione

1-methyl-3-(quinolin-4-ylmethyl)pyrimidine-2,4-dione (PubChem CID 79241293) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-methyl-3-(quinolin-4-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-(quinolin-4-ylmethyl)pyrimidine-2,4-dione
PubChem CID79241293
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name1-methyl-3-(quinolin-4-ylmethyl)pyrimidine-2,4-dione
SMILESCn1ccc(=O)n(Cc2ccnc3ccccc23)c1=O
InChIInChI=1S/C15H13N3O2/c1-17-9-7-14(19)18(15(17)20)10-11-6-8-16-13-5-3-2-4-12(11)13/h2-9H,10H2,1H3
InChIKeyIERXDYKMRBUWBP-UHFFFAOYSA-N
XLogP1.14
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(quinolin-4-ylmethyl)-1H-pyrimidine-2,4-dione
CID 107103947
4-(pyrrol-1-ylmethyl)quinoline
CID 79240222
methyl 2-[2-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]phenyl]acetate
CID 115461193
3-[(1-ethylimidazol-2-yl)methyl]-1-methylpyrimidine-2,4-dione
CID 63810772
3-amino-1-(quinolin-4-ylmethyl)pyridin-2-one
CID 79235393
1-(quinolin-4-ylmethyl)piperidin-4-one
CID 79235169
5-ethyl-5-methyl-1-(quinolin-4-ylmethyl)imidazolidine-2,4-dione
CID 79232534
3-[(5-chloro-2-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione
CID 102974838
5-(methylamino)-2-(quinolin-4-ylmethyl)pyridazin-3-one
CID 103218481
3-(2-imidazol-1-ylethyl)-1-methylpyrimidine-2,4-dione
CID 63811711
3-[2-(2-aminophenoxy)ethyl]-1-methylpyrimidine-2,4-dione
CID 63799617
4-[(2-propan-2-ylimidazol-1-yl)methyl]quinoline
CID 79240800

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(quinolin-4-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-methyl-3-(quinolin-4-ylmethyl)pyrimidine-2,4-dione (CID 79241293) is 1-methyl-3-(quinolin-4-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-(quinolin-4-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-methyl-3-(quinolin-4-ylmethyl)pyrimidine-2,4-dione is Cn1ccc(=O)n(Cc2ccnc3ccccc23)c1=O.
What is the InChIKey of 1-methyl-3-(quinolin-4-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is IERXDYKMRBUWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-17-9-7-14(19)18(15(17)20)10-11-6-8-16-13-5-3-2-4-12(11)13/h2-9H,10H2,1H3.
What are the key properties of 1-methyl-3-(quinolin-4-ylmethyl)pyrimidine-2,4-dione?
1-methyl-3-(quinolin-4-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 267.29 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(quinolin-4-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 79241293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).