4-amino-8-[2-(2,4-dimethoxypyrimidin-5-yl)ethyl]cinnoline-3-carboxamide

C17H18N6O3 — CID 91227637

IUPAC4-amino-8-[2-(2,4-dimethoxypyrimidin-5-yl)ethyl]cinnoline-3-carboxamide
SMILESCOc1ncc(CCc2cccc3c(N)c(C(N)=O)nnc23)c(OC)n1
InChIInChI=1S/C17H18N6O3/c1-25-16-10(8-20-17(21-16)26-2)7-6-9-4-3-5-11-12(18)14(15(19)24)23-22-13(9)11/h3-5,8H,6-7H2,1-2H3,(H2,18,22)(H2,19,24)
InChIKeyIUJMJSOGJMBIPF-UHFFFAOYSA-N
MW354.37 g/mol
LogP0.90
Rot. Bonds6

About 4-amino-8-[2-(2,4-dimethoxypyrimidin-5-yl)ethyl]cinnoline-3-carboxamide

4-amino-8-[2-(2,4-dimethoxypyrimidin-5-yl)ethyl]cinnoline-3-carboxamide (PubChem CID 91227637) has the molecular formula C17H18N6O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is 4-amino-8-[2-(2,4-dimethoxypyrimidin-5-yl)ethyl]cinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-[2-(2,4-dimethoxypyrimidin-5-yl)ethyl]cinnoline-3-carboxamide
PubChem CID91227637
Molecular FormulaC17H18N6O3
Molecular Weight354.37 g/mol
Exact Mass354.14
IUPAC Name4-amino-8-[2-(2,4-dimethoxypyrimidin-5-yl)ethyl]cinnoline-3-carboxamide
SMILESCOc1ncc(CCc2cccc3c(N)c(C(N)=O)nnc23)c(OC)n1
InChIInChI=1S/C17H18N6O3/c1-25-16-10(8-20-17(21-16)26-2)7-6-9-4-3-5-11-12(18)14(15(19)24)23-22-13(9)11/h3-5,8H,6-7H2,1-2H3,(H2,18,22)(H2,19,24)
InChIKeyIUJMJSOGJMBIPF-UHFFFAOYSA-N
XLogP0.90
TPSA139.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-ethylcinnoline-3-carboxamide
CID 25133442
4-amino-8-[4-(1-hydroxyethyl)-2-methoxypyrimidin-5-yl]cinnoline-3-carboxamide
CID 70275502
4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-(2-methylpropyl)cinnoline-3-carboxamide
CID 25183559
4-amino-N-cyclopropyl-8-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide
CID 59791621
4-amino-N-cyclobutyl-8-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide
CID 59791549
4-(2,4-dimethoxypyrimidin-5-yl)butanoic acid
CID 105483714
4-amino-8-[3-(2,5-dichlorophenyl)propyl]cinnoline-3-carboxamide
CID 91536361
N-(2,4-dimethoxypyrimidin-5-yl)-2-naphthalen-1-ylacetamide
CID 122304049
4-amino-8-(2-methylphenyl)cinnoline-3-carboxamide
CID 59791624
(4-amino-8-propylcinnolin-3-yl)-piperidin-1-ylmethanone;hydrate;hydrochloride
CID 23162925
4-amino-N-cyclopropyl-8-(2,4-dimethoxypyrimidin-5-yl)-7-fluorocinnoline-3-carboxamide
CID 59791555
2-amino-3-(2,4-dimethoxypyrimidin-5-yl)propanoic acid
CID 82662650

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-[2-(2,4-dimethoxypyrimidin-5-yl)ethyl]cinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-[2-(2,4-dimethoxypyrimidin-5-yl)ethyl]cinnoline-3-carboxamide (CID 91227637) is 4-amino-8-[2-(2,4-dimethoxypyrimidin-5-yl)ethyl]cinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-[2-(2,4-dimethoxypyrimidin-5-yl)ethyl]cinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-[2-(2,4-dimethoxypyrimidin-5-yl)ethyl]cinnoline-3-carboxamide is COc1ncc(CCc2cccc3c(N)c(C(N)=O)nnc23)c(OC)n1.
What is the InChIKey of 4-amino-8-[2-(2,4-dimethoxypyrimidin-5-yl)ethyl]cinnoline-3-carboxamide?
The InChIKey is IUJMJSOGJMBIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3/c1-25-16-10(8-20-17(21-16)26-2)7-6-9-4-3-5-11-12(18)14(15(19)24)23-22-13(9)11/h3-5,8H,6-7H2,1-2H3,(H2,18,22)(H2,19,24).
What are the key properties of 4-amino-8-[2-(2,4-dimethoxypyrimidin-5-yl)ethyl]cinnoline-3-carboxamide?
4-amino-8-[2-(2,4-dimethoxypyrimidin-5-yl)ethyl]cinnoline-3-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-[2-(2,4-dimethoxypyrimidin-5-yl)ethyl]cinnoline-3-carboxamide is sourced from PubChem (CID 91227637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).