6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide

C20H19Cl2N7O — CID 46900106

IUPAC6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCc1nc2nc(C(=O)NCCc3cnc[nH]3)cn2c(-c2ccc(Cl)cc2Cl)c1CN
InChIInChI=1S/C20H19Cl2N7O/c1-11-15(7-23)18(14-3-2-12(21)6-16(14)22)29-9-17(28-20(29)27-11)19(30)25-5-4-13-8-24-10-26-13/h2-3,6,8-10H,4-5,7,23H2,1H3,(H,24,26)(H,25,30)
InChIKeyBXRCSZPNYWMUNQ-UHFFFAOYSA-N
MW444.33 g/mol
LogP3.17
Rot. Bonds6

About 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide

6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 46900106) has the molecular formula C20H19Cl2N7O and a molecular weight of 444.33 g/mol. Its IUPAC name is 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID46900106
Molecular FormulaC20H19Cl2N7O
Molecular Weight444.33 g/mol
Exact Mass443.10
IUPAC Name6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCc1nc2nc(C(=O)NCCc3cnc[nH]3)cn2c(-c2ccc(Cl)cc2Cl)c1CN
InChIInChI=1S/C20H19Cl2N7O/c1-11-15(7-23)18(14-3-2-12(21)6-16(14)22)29-9-17(28-20(29)27-11)19(30)25-5-4-13-8-24-10-26-13/h2-3,6,8-10H,4-5,7,23H2,1H3,(H,24,26)(H,25,30)
InChIKeyBXRCSZPNYWMUNQ-UHFFFAOYSA-N
XLogP3.17
TPSA113.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.33
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide (CID 46900106) is 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide is Cc1nc2nc(C(=O)NCCc3cnc[nH]3)cn2c(-c2ccc(Cl)cc2Cl)c1CN.
What is the InChIKey of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is BXRCSZPNYWMUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N7O/c1-11-15(7-23)18(14-3-2-12(21)6-16(14)22)29-9-17(28-20(29)27-11)19(30)25-5-4-13-8-24-10-26-13/h2-3,6,8-10H,4-5,7,23H2,1H3,(H,24,26)(H,25,30).
What are the key properties of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide?
6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 444.33 g/mol, XLogP of 3.17, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-7-methylimidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 46900106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).