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

C20H26ClN5O — CID 56683764

IUPAC7-N-(2-chloro-4-methoxyphenyl)-7-N-methyl-5-N,5-N-dipropylimidazo[1,2-a]pyrimidine-5,7-diamine
SMILESCCCN(CCC)c1cc(N(C)c2ccc(OC)cc2Cl)nc2nccn12
InChIInChI=1S/C20H26ClN5O/c1-5-10-25(11-6-2)19-14-18(23-20-22-9-12-26(19)20)24(3)17-8-7-15(27-4)13-16(17)21/h7-9,12-14H,5-6,10-11H2,1-4H3
InChIKeyKKSDIZNEILOMDJ-UHFFFAOYSA-N
MW387.92 g/mol
LogP4.79
Rot. Bonds8

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

7-N-(2-chloro-4-methoxyphenyl)-7-N-methyl-5-N,5-N-dipropylimidazo[1,2-a]pyrimidine-5,7-diamine (PubChem CID 56683764) has the molecular formula C20H26ClN5O and a molecular weight of 387.92 g/mol. Its IUPAC name is 7-N-(2-chloro-4-methoxyphenyl)-7-N-methyl-5-N,5-N-dipropylimidazo[1,2-a]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name7-N-(2-chloro-4-methoxyphenyl)-7-N-methyl-5-N,5-N-dipropylimidazo[1,2-a]pyrimidine-5,7-diamine
PubChem CID56683764
Molecular FormulaC20H26ClN5O
Molecular Weight387.92 g/mol
Exact Mass387.18
IUPAC Name7-N-(2-chloro-4-methoxyphenyl)-7-N-methyl-5-N,5-N-dipropylimidazo[1,2-a]pyrimidine-5,7-diamine
SMILESCCCN(CCC)c1cc(N(C)c2ccc(OC)cc2Cl)nc2nccn12
InChIInChI=1S/C20H26ClN5O/c1-5-10-25(11-6-2)19-14-18(23-20-22-9-12-26(19)20)24(3)17-8-7-15(27-4)13-16(17)21/h7-9,12-14H,5-6,10-11H2,1-4H3
InChIKeyKKSDIZNEILOMDJ-UHFFFAOYSA-N
XLogP4.79
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.92
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-N-(2-chloro-4-methoxyphenyl)-7-N-methyl-5-N,5-N-dipropylimidazo[1,2-a]pyrimidine-5,7-diamine?
The IUPAC name of 7-N-(2-chloro-4-methoxyphenyl)-7-N-methyl-5-N,5-N-dipropylimidazo[1,2-a]pyrimidine-5,7-diamine (CID 56683764) is 7-N-(2-chloro-4-methoxyphenyl)-7-N-methyl-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-methyl-5-N,5-N-dipropylimidazo[1,2-a]pyrimidine-5,7-diamine?
The canonical SMILES for 7-N-(2-chloro-4-methoxyphenyl)-7-N-methyl-5-N,5-N-dipropylimidazo[1,2-a]pyrimidine-5,7-diamine is CCCN(CCC)c1cc(N(C)c2ccc(OC)cc2Cl)nc2nccn12.
What is the InChIKey of 7-N-(2-chloro-4-methoxyphenyl)-7-N-methyl-5-N,5-N-dipropylimidazo[1,2-a]pyrimidine-5,7-diamine?
The InChIKey is KKSDIZNEILOMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN5O/c1-5-10-25(11-6-2)19-14-18(23-20-22-9-12-26(19)20)24(3)17-8-7-15(27-4)13-16(17)21/h7-9,12-14H,5-6,10-11H2,1-4H3.
What are the key properties of 7-N-(2-chloro-4-methoxyphenyl)-7-N-methyl-5-N,5-N-dipropylimidazo[1,2-a]pyrimidine-5,7-diamine?
7-N-(2-chloro-4-methoxyphenyl)-7-N-methyl-5-N,5-N-dipropylimidazo[1,2-a]pyrimidine-5,7-diamine has a molecular weight of 387.92 g/mol, XLogP of 4.79, 8 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-methyl-5-N,5-N-dipropylimidazo[1,2-a]pyrimidine-5,7-diamine is sourced from PubChem (CID 56683764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).