2-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine

C22H19ClN4O2 — CID 15990318

IUPAC2-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine
SMILESCc1cc(C)n2c(Nc3ccc4c(c3)OCCO4)c(-c3ccc(Cl)cc3)nc2n1
InChIInChI=1S/C22H19ClN4O2/c1-13-11-14(2)27-21(25-17-7-8-18-19(12-17)29-10-9-28-18)20(26-22(27)24-13)15-3-5-16(23)6-4-15/h3-8,11-12,25H,9-10H2,1-2H3
InChIKeyYJLFPZVMANUJND-UHFFFAOYSA-N
MW406.87 g/mol
LogP5.18
Rot. Bonds3

About 2-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine

2-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine (PubChem CID 15990318) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine
PubChem CID15990318
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC Name2-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine
SMILESCc1cc(C)n2c(Nc3ccc4c(c3)OCCO4)c(-c3ccc(Cl)cc3)nc2n1
InChIInChI=1S/C22H19ClN4O2/c1-13-11-14(2)27-21(25-17-7-8-18-19(12-17)29-10-9-28-18)20(26-22(27)24-13)15-3-5-16(23)6-4-15/h3-8,11-12,25H,9-10H2,1-2H3
InChIKeyYJLFPZVMANUJND-UHFFFAOYSA-N
XLogP5.18
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.87
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 25117011
2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoroimidazo[1,2-a]pyridin-3-amine
CID 58402642
N-(1,3-benzodioxol-5-yl)-6-chloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine
CID 122174795
4-N-(5-chloro-2-methylphenyl)-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrimidine-4,6-diamine
CID 112878098
4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methylimidazo[1,2-a]pyridin-2-yl]-3,5-difluorobenzonitrile
CID 58402513
2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrazin-3-amine
CID 58402529
4-[3-(1,3-benzodioxol-5-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 7338736
4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyrimidin-2-yl]benzene-1,2-diol
CID 102594430
[4-[3-(1,3-benzodioxol-5-ylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-trimethylazanium
CID 123546918
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine
CID 4059941
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine;hydrochloride
CID 163329459
3,5,7-trimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyrimidine
CID 115281773

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine?
The IUPAC name of 2-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine (CID 15990318) is 2-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine is Cc1cc(C)n2c(Nc3ccc4c(c3)OCCO4)c(-c3ccc(Cl)cc3)nc2n1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine?
The InChIKey is YJLFPZVMANUJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c1-13-11-14(2)27-21(25-17-7-8-18-19(12-17)29-10-9-28-18)20(26-22(27)24-13)15-3-5-16(23)6-4-15/h3-8,11-12,25H,9-10H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine?
2-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine has a molecular weight of 406.87 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine is sourced from PubChem (CID 15990318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).