7-N-(2-chloro-4-methoxyphenyl)-7-N-ethyl-5-N,5-N-dipropylimidazo[1,2-a]pyrimidine-5,7-diamine

C21H28ClN5O — CID 56663414

IUPAC7-N-(2-chloro-4-methoxyphenyl)-7-N-ethyl-5-N,5-N-dipropylimidazo[1,2-a]pyrimidine-5,7-diamine
SMILESCCCN(CCC)c1cc(N(CC)c2ccc(OC)cc2Cl)nc2nccn12
InChIInChI=1S/C21H28ClN5O/c1-5-11-25(12-6-2)20-15-19(24-21-23-10-13-27(20)21)26(7-3)18-9-8-16(28-4)14-17(18)22/h8-10,13-15H,5-7,11-12H2,1-4H3
InChIKeyGJPUIJBHCBLJOP-UHFFFAOYSA-N
MW401.94 g/mol
LogP5.18
Rot. Bonds9

About 7-N-(2-chloro-4-methoxyphenyl)-7-N-ethyl-5-N,5-N-dipropylimidazo[1,2-a]pyrimidine-5,7-diamine

7-N-(2-chloro-4-methoxyphenyl)-7-N-ethyl-5-N,5-N-dipropylimidazo[1,2-a]pyrimidine-5,7-diamine (PubChem CID 56663414) has the molecular formula C21H28ClN5O and a molecular weight of 401.94 g/mol. Its IUPAC name is 7-N-(2-chloro-4-methoxyphenyl)-7-N-ethyl-5-N,5-N-dipropylimidazo[1,2-a]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name7-N-(2-chloro-4-methoxyphenyl)-7-N-ethyl-5-N,5-N-dipropylimidazo[1,2-a]pyrimidine-5,7-diamine
PubChem CID56663414
Molecular FormulaC21H28ClN5O
Molecular Weight401.94 g/mol
Exact Mass401.20
IUPAC Name7-N-(2-chloro-4-methoxyphenyl)-7-N-ethyl-5-N,5-N-dipropylimidazo[1,2-a]pyrimidine-5,7-diamine
SMILESCCCN(CCC)c1cc(N(CC)c2ccc(OC)cc2Cl)nc2nccn12
InChIInChI=1S/C21H28ClN5O/c1-5-11-25(12-6-2)20-15-19(24-21-23-10-13-27(20)21)26(7-3)18-9-8-16(28-4)14-17(18)22/h8-10,13-15H,5-7,11-12H2,1-4H3
InChIKeyGJPUIJBHCBLJOP-UHFFFAOYSA-N
XLogP5.18
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.94
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-N-(2-chloro-4-methoxyphenyl)-7-N-ethyl-5-N,5-N-dipropylimidazo[1,2-a]pyrimidine-5,7-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-N-(2-chloro-4-methoxyphenyl)-7-N-ethyl-5-N,5-N-dipropylimidazo[1,2-a]pyrimidine-5,7-diamine?
The IUPAC name of 7-N-(2-chloro-4-methoxyphenyl)-7-N-ethyl-5-N,5-N-dipropylimidazo[1,2-a]pyrimidine-5,7-diamine (CID 56663414) is 7-N-(2-chloro-4-methoxyphenyl)-7-N-ethyl-5-N,5-N-dipropylimidazo[1,2-a]pyrimidine-5,7-diamine.
What is the SMILES notation for 7-N-(2-chloro-4-methoxyphenyl)-7-N-ethyl-5-N,5-N-dipropylimidazo[1,2-a]pyrimidine-5,7-diamine?
The canonical SMILES for 7-N-(2-chloro-4-methoxyphenyl)-7-N-ethyl-5-N,5-N-dipropylimidazo[1,2-a]pyrimidine-5,7-diamine is CCCN(CCC)c1cc(N(CC)c2ccc(OC)cc2Cl)nc2nccn12.
What is the InChIKey of 7-N-(2-chloro-4-methoxyphenyl)-7-N-ethyl-5-N,5-N-dipropylimidazo[1,2-a]pyrimidine-5,7-diamine?
The InChIKey is GJPUIJBHCBLJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN5O/c1-5-11-25(12-6-2)20-15-19(24-21-23-10-13-27(20)21)26(7-3)18-9-8-16(28-4)14-17(18)22/h8-10,13-15H,5-7,11-12H2,1-4H3.
What are the key properties of 7-N-(2-chloro-4-methoxyphenyl)-7-N-ethyl-5-N,5-N-dipropylimidazo[1,2-a]pyrimidine-5,7-diamine?
7-N-(2-chloro-4-methoxyphenyl)-7-N-ethyl-5-N,5-N-dipropylimidazo[1,2-a]pyrimidine-5,7-diamine has a molecular weight of 401.94 g/mol, XLogP of 5.18, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(2-chloro-4-methoxyphenyl)-7-N-ethyl-5-N,5-N-dipropylimidazo[1,2-a]pyrimidine-5,7-diamine is sourced from PubChem (CID 56663414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).