2-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinolin-4-amine

C21H26N6O3 — CID 14069015

IUPAC2-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinolin-4-amine
SMILESCCOc1ccnc(N2CCN(c3cc(N)c4cc(OC)c(OC)cc4n3)CC2)n1
InChIInChI=1S/C21H26N6O3/c1-4-30-20-5-6-23-21(25-20)27-9-7-26(8-10-27)19-12-15(22)14-11-17(28-2)18(29-3)13-16(14)24-19/h5-6,11-13H,4,7-10H2,1-3H3,(H2,22,24)
InChIKeyAINDCLXTKWWCPO-UHFFFAOYSA-N
MW410.48 g/mol
LogP2.35
Rot. Bonds6

About 2-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinolin-4-amine

2-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinolin-4-amine (PubChem CID 14069015) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is 2-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinolin-4-amine.

Molecular Properties

Compound Name2-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinolin-4-amine
PubChem CID14069015
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC Name2-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinolin-4-amine
SMILESCCOc1ccnc(N2CCN(c3cc(N)c4cc(OC)c(OC)cc4n3)CC2)n1
InChIInChI=1S/C21H26N6O3/c1-4-30-20-5-6-23-21(25-20)27-9-7-26(8-10-27)19-12-15(22)14-11-17(28-2)18(29-3)13-16(14)24-19/h5-6,11-13H,4,7-10H2,1-3H3,(H2,22,24)
InChIKeyAINDCLXTKWWCPO-UHFFFAOYSA-N
XLogP2.35
TPSA98.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinolin-4-amine?
The IUPAC name of 2-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinolin-4-amine (CID 14069015) is 2-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinolin-4-amine.
What is the SMILES notation for 2-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinolin-4-amine?
The canonical SMILES for 2-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinolin-4-amine is CCOc1ccnc(N2CCN(c3cc(N)c4cc(OC)c(OC)cc4n3)CC2)n1.
What is the InChIKey of 2-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinolin-4-amine?
The InChIKey is AINDCLXTKWWCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-4-30-20-5-6-23-21(25-20)27-9-7-26(8-10-27)19-12-15(22)14-11-17(28-2)18(29-3)13-16(14)24-19/h5-6,11-13H,4,7-10H2,1-3H3,(H2,22,24).
What are the key properties of 2-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinolin-4-amine?
2-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinolin-4-amine has a molecular weight of 410.48 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinolin-4-amine is sourced from PubChem (CID 14069015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).