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

C21H27N7O2 — CID 14069017

IUPAC2-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]-6,7-dimethoxyquinolin-4-amine
SMILESCOc1cc2nc(N3CCN(c4nccc(N(C)C)n4)CC3)cc(N)c2cc1OC
InChIInChI=1S/C21H27N7O2/c1-26(2)19-5-6-23-21(25-19)28-9-7-27(8-10-28)20-12-15(22)14-11-17(29-3)18(30-4)13-16(14)24-20/h5-6,11-13H,7-10H2,1-4H3,(H2,22,24)
InChIKeyCNBQVDWYYMQIOM-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.02
Rot. Bonds5

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

2-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]-6,7-dimethoxyquinolin-4-amine (PubChem CID 14069017) has the molecular formula C21H27N7O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]-6,7-dimethoxyquinolin-4-amine.

Molecular Properties

Compound Name2-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]-6,7-dimethoxyquinolin-4-amine
PubChem CID14069017
Molecular FormulaC21H27N7O2
Molecular Weight409.49 g/mol
Exact Mass409.22
IUPAC Name2-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]-6,7-dimethoxyquinolin-4-amine
SMILESCOc1cc2nc(N3CCN(c4nccc(N(C)C)n4)CC3)cc(N)c2cc1OC
InChIInChI=1S/C21H27N7O2/c1-26(2)19-5-6-23-21(25-19)28-9-7-27(8-10-28)20-12-15(22)14-11-17(29-3)18(30-4)13-16(14)24-20/h5-6,11-13H,7-10H2,1-4H3,(H2,22,24)
InChIKeyCNBQVDWYYMQIOM-UHFFFAOYSA-N
XLogP2.02
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]-6,7-dimethoxyquinolin-4-amine?
The IUPAC name of 2-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]-6,7-dimethoxyquinolin-4-amine (CID 14069017) is 2-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]-6,7-dimethoxyquinolin-4-amine.
What is the SMILES notation for 2-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]-6,7-dimethoxyquinolin-4-amine?
The canonical SMILES for 2-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]-6,7-dimethoxyquinolin-4-amine is COc1cc2nc(N3CCN(c4nccc(N(C)C)n4)CC3)cc(N)c2cc1OC.
What is the InChIKey of 2-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]-6,7-dimethoxyquinolin-4-amine?
The InChIKey is CNBQVDWYYMQIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O2/c1-26(2)19-5-6-23-21(25-19)28-9-7-27(8-10-28)20-12-15(22)14-11-17(29-3)18(30-4)13-16(14)24-20/h5-6,11-13H,7-10H2,1-4H3,(H2,22,24).
What are the key properties of 2-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]-6,7-dimethoxyquinolin-4-amine?
2-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]-6,7-dimethoxyquinolin-4-amine has a molecular weight of 409.49 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]-6,7-dimethoxyquinolin-4-amine is sourced from PubChem (CID 14069017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).