6-amino-1-(quinolin-8-ylmethyl)pyrimidine-2,4-dione

C14H12N4O2 — CID 81427905

IUPAC6-amino-1-(quinolin-8-ylmethyl)pyrimidine-2,4-dione
SMILESNc1cc(=O)[nH]c(=O)n1Cc1cccc2cccnc12
InChIInChI=1S/C14H12N4O2/c15-11-7-12(19)17-14(20)18(11)8-10-4-1-3-9-5-2-6-16-13(9)10/h1-7H,8,15H2,(H,17,19,20)
InChIKeyRXGUDRQCZDYHHW-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.72
Rot. Bonds2

About 6-amino-1-(quinolin-8-ylmethyl)pyrimidine-2,4-dione

6-amino-1-(quinolin-8-ylmethyl)pyrimidine-2,4-dione (PubChem CID 81427905) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 6-amino-1-(quinolin-8-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(quinolin-8-ylmethyl)pyrimidine-2,4-dione
PubChem CID81427905
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name6-amino-1-(quinolin-8-ylmethyl)pyrimidine-2,4-dione
SMILESNc1cc(=O)[nH]c(=O)n1Cc1cccc2cccnc12
InChIInChI=1S/C14H12N4O2/c15-11-7-12(19)17-14(20)18(11)8-10-4-1-3-9-5-2-6-16-13(9)10/h1-7H,8,15H2,(H,17,19,20)
InChIKeyRXGUDRQCZDYHHW-UHFFFAOYSA-N
XLogP0.72
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-1-(pyridazin-3-ylmethyl)pyrimidine-2,4-dione
CID 106896478
8-[(2,5-dimethylpyrrol-1-yl)methyl]quinoline
CID 81423655
1-(quinolin-8-ylmethyl)pyrrole-2,5-dione
CID 81428770
3-(aminomethyl)-1-(quinolin-8-ylmethyl)pyridin-2-one
CID 107017504
5-ethyl-1-(quinolin-8-ylmethyl)pyrimidine-2,4-dione
CID 66329338
1-(quinolin-8-ylmethyl)-1,2,4-triazol-3-amine
CID 54929663
6-amino-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione
CID 106418326
3-(4-quinolin-8-ylbutyl)-1H-benzimidazol-2-one
CID 166828595
1-(quinolin-8-ylmethyl)pyrazol-4-amine
CID 28774951
6-amino-1-(pyridin-1-ium-2-ylmethyl)pyrimidine-2,4-dione
CID 4556467
6-chloro-3-(quinolin-8-ylmethyl)pyrimidin-4-one
CID 114582096
1-(2-methylpropyl)-3-(quinolin-8-ylmethyl)imidazolidine-2,4,5-trione
CID 17492243

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(quinolin-8-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(quinolin-8-ylmethyl)pyrimidine-2,4-dione (CID 81427905) is 6-amino-1-(quinolin-8-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(quinolin-8-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(quinolin-8-ylmethyl)pyrimidine-2,4-dione is Nc1cc(=O)[nH]c(=O)n1Cc1cccc2cccnc12.
What is the InChIKey of 6-amino-1-(quinolin-8-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is RXGUDRQCZDYHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c15-11-7-12(19)17-14(20)18(11)8-10-4-1-3-9-5-2-6-16-13(9)10/h1-7H,8,15H2,(H,17,19,20).
What are the key properties of 6-amino-1-(quinolin-8-ylmethyl)pyrimidine-2,4-dione?
6-amino-1-(quinolin-8-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 268.28 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(quinolin-8-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 81427905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).