4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-ethylcinnoline-3-carboxamide

C17H18N6O3 — CID 25133442

IUPAC4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-ethylcinnoline-3-carboxamide
SMILESCCNC(=O)c1nnc2c(-c3cnc(OC)nc3OC)cccc2c1N
InChIInChI=1S/C17H18N6O3/c1-4-19-15(24)14-12(18)10-7-5-6-9(13(10)22-23-14)11-8-20-17(26-3)21-16(11)25-2/h5-8H,4H2,1-3H3,(H2,18,22)(H,19,24)
InChIKeyGMJNGKSFTHKTFJ-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.44
Rot. Bonds5

About 4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-ethylcinnoline-3-carboxamide

4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-ethylcinnoline-3-carboxamide (PubChem CID 25133442) has the molecular formula C17H18N6O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is 4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-ethylcinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-ethylcinnoline-3-carboxamide
PubChem CID25133442
Molecular FormulaC17H18N6O3
Molecular Weight354.37 g/mol
Exact Mass354.14
IUPAC Name4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-ethylcinnoline-3-carboxamide
SMILESCCNC(=O)c1nnc2c(-c3cnc(OC)nc3OC)cccc2c1N
InChIInChI=1S/C17H18N6O3/c1-4-19-15(24)14-12(18)10-7-5-6-9(13(10)22-23-14)11-8-20-17(26-3)21-16(11)25-2/h5-8H,4H2,1-3H3,(H2,18,22)(H,19,24)
InChIKeyGMJNGKSFTHKTFJ-UHFFFAOYSA-N
XLogP1.44
TPSA125.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-ethylcinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-ethylcinnoline-3-carboxamide (CID 25133442) is 4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-ethylcinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-ethylcinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-ethylcinnoline-3-carboxamide is CCNC(=O)c1nnc2c(-c3cnc(OC)nc3OC)cccc2c1N.
What is the InChIKey of 4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-ethylcinnoline-3-carboxamide?
The InChIKey is GMJNGKSFTHKTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3/c1-4-19-15(24)14-12(18)10-7-5-6-9(13(10)22-23-14)11-8-20-17(26-3)21-16(11)25-2/h5-8H,4H2,1-3H3,(H2,18,22)(H,19,24).
What are the key properties of 4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-ethylcinnoline-3-carboxamide?
4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-ethylcinnoline-3-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-ethylcinnoline-3-carboxamide is sourced from PubChem (CID 25133442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).