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

C18H20N6O3 — CID 23629960

IUPAC4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-propylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(-c3cnc(OC)nc3OC)cccc2c1N
InChIInChI=1S/C18H20N6O3/c1-4-8-20-16(25)15-13(19)11-7-5-6-10(14(11)23-24-15)12-9-21-18(27-3)22-17(12)26-2/h5-7,9H,4,8H2,1-3H3,(H2,19,23)(H,20,25)
InChIKeyMMBJQNHQQHDAKU-UHFFFAOYSA-N
MW368.40 g/mol
LogP1.83
Rot. Bonds6

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

4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-propylcinnoline-3-carboxamide (PubChem CID 23629960) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is 4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-propylcinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-propylcinnoline-3-carboxamide
PubChem CID23629960
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC Name4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-propylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(-c3cnc(OC)nc3OC)cccc2c1N
InChIInChI=1S/C18H20N6O3/c1-4-8-20-16(25)15-13(19)11-7-5-6-10(14(11)23-24-15)12-9-21-18(27-3)22-17(12)26-2/h5-7,9H,4,8H2,1-3H3,(H2,19,23)(H,20,25)
InChIKeyMMBJQNHQQHDAKU-UHFFFAOYSA-N
XLogP1.83
TPSA125.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 51.83
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-propylcinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-propylcinnoline-3-carboxamide (CID 23629960) is 4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-propylcinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-propylcinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-propylcinnoline-3-carboxamide is CCCNC(=O)c1nnc2c(-c3cnc(OC)nc3OC)cccc2c1N.
What is the InChIKey of 4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-propylcinnoline-3-carboxamide?
The InChIKey is MMBJQNHQQHDAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-4-8-20-16(25)15-13(19)11-7-5-6-10(14(11)23-24-15)12-9-21-18(27-3)22-17(12)26-2/h5-7,9H,4,8H2,1-3H3,(H2,19,23)(H,20,25).
What are the key properties of 4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-propylcinnoline-3-carboxamide?
4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-propylcinnoline-3-carboxamide has a molecular weight of 368.40 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-propylcinnoline-3-carboxamide is sourced from PubChem (CID 23629960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).