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

C19H20N6O3 — CID 59791549

IUPAC4-amino-N-cyclobutyl-8-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide
SMILESCOc1ncc(-c2cccc3c(N)c(C(=O)NC4CCC4)nnc23)c(OC)n1
InChIInChI=1S/C19H20N6O3/c1-27-18-13(9-21-19(23-18)28-2)11-7-4-8-12-14(20)16(25-24-15(11)12)17(26)22-10-5-3-6-10/h4,7-10H,3,5-6H2,1-2H3,(H2,20,24)(H,22,26)
InChIKeyKGMWMMKYZGKDFE-UHFFFAOYSA-N
MW380.41 g/mol
LogP1.97
Rot. Bonds5

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

4-amino-N-cyclobutyl-8-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide (PubChem CID 59791549) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is 4-amino-N-cyclobutyl-8-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclobutyl-8-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide
PubChem CID59791549
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC Name4-amino-N-cyclobutyl-8-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide
SMILESCOc1ncc(-c2cccc3c(N)c(C(=O)NC4CCC4)nnc23)c(OC)n1
InChIInChI=1S/C19H20N6O3/c1-27-18-13(9-21-19(23-18)28-2)11-7-4-8-12-14(20)16(25-24-15(11)12)17(26)22-10-5-3-6-10/h4,7-10H,3,5-6H2,1-2H3,(H2,20,24)(H,22,26)
InChIKeyKGMWMMKYZGKDFE-UHFFFAOYSA-N
XLogP1.97
TPSA125.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclobutyl-8-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide?
The IUPAC name of 4-amino-N-cyclobutyl-8-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide (CID 59791549) is 4-amino-N-cyclobutyl-8-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-N-cyclobutyl-8-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide?
The canonical SMILES for 4-amino-N-cyclobutyl-8-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide is COc1ncc(-c2cccc3c(N)c(C(=O)NC4CCC4)nnc23)c(OC)n1.
What is the InChIKey of 4-amino-N-cyclobutyl-8-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide?
The InChIKey is KGMWMMKYZGKDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-27-18-13(9-21-19(23-18)28-2)11-7-4-8-12-14(20)16(25-24-15(11)12)17(26)22-10-5-3-6-10/h4,7-10H,3,5-6H2,1-2H3,(H2,20,24)(H,22,26).
What are the key properties of 4-amino-N-cyclobutyl-8-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide?
4-amino-N-cyclobutyl-8-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide has a molecular weight of 380.41 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclobutyl-8-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide is sourced from PubChem (CID 59791549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).