7-(4-ethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine

C14H17N3O — CID 136839931

IUPAC7-(4-ethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESCCOc1ccc(C2CCn3ccnc3N2)cc1
InChIInChI=1S/C14H17N3O/c1-2-18-12-5-3-11(4-6-12)13-7-9-17-10-8-15-14(17)16-13/h3-6,8,10,13H,2,7,9H2,1H3,(H,15,16)
InChIKeyLZFJBOKMXVLPLG-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.84
Rot. Bonds3

About 7-(4-ethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine

7-(4-ethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (PubChem CID 136839931) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 7-(4-ethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-(4-ethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
PubChem CID136839931
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name7-(4-ethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESCCOc1ccc(C2CCn3ccnc3N2)cc1
InChIInChI=1S/C14H17N3O/c1-2-18-12-5-3-11(4-6-12)13-7-9-17-10-8-15-14(17)16-13/h3-6,8,10,13H,2,7,9H2,1H3,(H,15,16)
InChIKeyLZFJBOKMXVLPLG-UHFFFAOYSA-N
XLogP2.84
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(4-propylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136839872
(5R,7S)-5-(4-ethoxyphenyl)-7-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 934771
(5R,7R)-5-(4-bromophenyl)-7-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 135764292
7-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136709411
4-ethoxy-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)benzamide
CID 112532976
(5R,7R)-5-(4-ethoxyphenyl)-7-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2007020
(5S,7R)-5-(4-ethoxyphenyl)-7-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2007021
(5R,7S)-7-(3-chlorophenyl)-5-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1304001
(5S,7R)-7-(4-ethoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 933915
(5R,7S)-5-(4-ethoxyphenyl)-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 931814
7-(2-chloro-6-fluorophenyl)-5-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 4611611
4-(4-ethoxyphenyl)piperidine
CID 21495191

Frequently Asked Questions

What is the IUPAC name of 7-(4-ethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The IUPAC name of 7-(4-ethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (CID 136839931) is 7-(4-ethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 7-(4-ethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-(4-ethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is CCOc1ccc(C2CCn3ccnc3N2)cc1.
What is the InChIKey of 7-(4-ethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The InChIKey is LZFJBOKMXVLPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-18-12-5-3-11(4-6-12)13-7-9-17-10-8-15-14(17)16-13/h3-6,8,10,13H,2,7,9H2,1H3,(H,15,16).
What are the key properties of 7-(4-ethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
7-(4-ethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine has a molecular weight of 243.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 136839931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).