5-(4-amino-2-chlorophenyl)-6-(aminomethyl)-N-methoxy-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide

C17H19ClN6O2 — CID 88961022

IUPAC5-(4-amino-2-chlorophenyl)-6-(aminomethyl)-N-methoxy-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCON(C)C(=O)c1cn2c(-c3ccc(N)cc3Cl)c(CN)c(C)nc2n1
InChIInChI=1S/C17H19ClN6O2/c1-9-12(7-19)15(11-5-4-10(20)6-13(11)18)24-8-14(22-17(24)21-9)16(25)23(2)26-3/h4-6,8H,7,19-20H2,1-3H3
InChIKeyWYBIEZXHGVEMHK-UHFFFAOYSA-N
MW374.83 g/mol
LogP2.03
Rot. Bonds4

About 5-(4-amino-2-chlorophenyl)-6-(aminomethyl)-N-methoxy-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide

5-(4-amino-2-chlorophenyl)-6-(aminomethyl)-N-methoxy-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 88961022) has the molecular formula C17H19ClN6O2 and a molecular weight of 374.83 g/mol. Its IUPAC name is 5-(4-amino-2-chlorophenyl)-6-(aminomethyl)-N-methoxy-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(4-amino-2-chlorophenyl)-6-(aminomethyl)-N-methoxy-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID88961022
Molecular FormulaC17H19ClN6O2
Molecular Weight374.83 g/mol
Exact Mass374.13
IUPAC Name5-(4-amino-2-chlorophenyl)-6-(aminomethyl)-N-methoxy-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCON(C)C(=O)c1cn2c(-c3ccc(N)cc3Cl)c(CN)c(C)nc2n1
InChIInChI=1S/C17H19ClN6O2/c1-9-12(7-19)15(11-5-4-10(20)6-13(11)18)24-8-14(22-17(24)21-9)16(25)23(2)26-3/h4-6,8H,7,19-20H2,1-3H3
InChIKeyWYBIEZXHGVEMHK-UHFFFAOYSA-N
XLogP2.03
TPSA111.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2-chlorophenyl)-6-(aminomethyl)-N-methoxy-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-(4-amino-2-chlorophenyl)-6-(aminomethyl)-N-methoxy-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide (CID 88961022) is 5-(4-amino-2-chlorophenyl)-6-(aminomethyl)-N-methoxy-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(4-amino-2-chlorophenyl)-6-(aminomethyl)-N-methoxy-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(4-amino-2-chlorophenyl)-6-(aminomethyl)-N-methoxy-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide is CON(C)C(=O)c1cn2c(-c3ccc(N)cc3Cl)c(CN)c(C)nc2n1.
What is the InChIKey of 5-(4-amino-2-chlorophenyl)-6-(aminomethyl)-N-methoxy-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is WYBIEZXHGVEMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6O2/c1-9-12(7-19)15(11-5-4-10(20)6-13(11)18)24-8-14(22-17(24)21-9)16(25)23(2)26-3/h4-6,8H,7,19-20H2,1-3H3.
What are the key properties of 5-(4-amino-2-chlorophenyl)-6-(aminomethyl)-N-methoxy-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide?
5-(4-amino-2-chlorophenyl)-6-(aminomethyl)-N-methoxy-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 374.83 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2-chlorophenyl)-6-(aminomethyl)-N-methoxy-N,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 88961022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).