1-[2-amino-6-[2-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]-3-pyridinyl]ethanone

C21H19Cl2N7O — CID 59313115

IUPAC1-[2-amino-6-[2-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(NCCNc2nc(-c3ccc(Cl)cc3Cl)cc3nccn23)nc1N
InChIInChI=1S/C21H19Cl2N7O/c1-12(31)14-4-5-18(29-20(14)24)25-6-7-27-21-28-17(11-19-26-8-9-30(19)21)15-3-2-13(22)10-16(15)23/h2-5,8-11H,6-7H2,1H3,(H,27,28)(H3,24,25,29)
InChIKeyNYVRIGKRHIMXSS-UHFFFAOYSA-N
MW456.34 g/mol
LogP4.41
Rot. Bonds7

About 1-[2-amino-6-[2-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]-3-pyridinyl]ethanone

1-[2-amino-6-[2-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]-3-pyridinyl]ethanone (PubChem CID 59313115) has the molecular formula C21H19Cl2N7O and a molecular weight of 456.34 g/mol. Its IUPAC name is 1-[2-amino-6-[2-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-6-[2-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]-3-pyridinyl]ethanone
PubChem CID59313115
Molecular FormulaC21H19Cl2N7O
Molecular Weight456.34 g/mol
Exact Mass455.10
IUPAC Name1-[2-amino-6-[2-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(NCCNc2nc(-c3ccc(Cl)cc3Cl)cc3nccn23)nc1N
InChIInChI=1S/C21H19Cl2N7O/c1-12(31)14-4-5-18(29-20(14)24)25-6-7-27-21-28-17(11-19-26-8-9-30(19)21)15-3-2-13(22)10-16(15)23/h2-5,8-11H,6-7H2,1H3,(H,27,28)(H3,24,25,29)
InChIKeyNYVRIGKRHIMXSS-UHFFFAOYSA-N
XLogP4.41
TPSA110.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.34
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-6-[2-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]-3-pyridinyl]ethanone?
The IUPAC name of 1-[2-amino-6-[2-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]-3-pyridinyl]ethanone (CID 59313115) is 1-[2-amino-6-[2-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-amino-6-[2-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[2-amino-6-[2-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]-3-pyridinyl]ethanone is CC(=O)c1ccc(NCCNc2nc(-c3ccc(Cl)cc3Cl)cc3nccn23)nc1N.
What is the InChIKey of 1-[2-amino-6-[2-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]-3-pyridinyl]ethanone?
The InChIKey is NYVRIGKRHIMXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N7O/c1-12(31)14-4-5-18(29-20(14)24)25-6-7-27-21-28-17(11-19-26-8-9-30(19)21)15-3-2-13(22)10-16(15)23/h2-5,8-11H,6-7H2,1H3,(H,27,28)(H3,24,25,29).
What are the key properties of 1-[2-amino-6-[2-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]-3-pyridinyl]ethanone?
1-[2-amino-6-[2-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]-3-pyridinyl]ethanone has a molecular weight of 456.34 g/mol, XLogP of 4.41, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-6-[2-[[7-(2,4-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]-3-pyridinyl]ethanone is sourced from PubChem (CID 59313115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).