methyl 7-methyl-5-phenyl-5,8-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate

C15H15N3O2 — CID 70354637

IUPACmethyl 7-methyl-5-phenyl-5,8-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate
SMILESCOC(=O)C1=C(C)Nc2nccn2C1c1ccccc1
InChIInChI=1S/C15H15N3O2/c1-10-12(14(19)20-2)13(11-6-4-3-5-7-11)18-9-8-16-15(18)17-10/h3-9,13H,1-2H3,(H,16,17)
InChIKeyCKWIYKMBYHELDU-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.35
Rot. Bonds2

About methyl 7-methyl-5-phenyl-5,8-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate

methyl 7-methyl-5-phenyl-5,8-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate (PubChem CID 70354637) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl 7-methyl-5-phenyl-5,8-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 7-methyl-5-phenyl-5,8-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate
PubChem CID70354637
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Namemethyl 7-methyl-5-phenyl-5,8-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate
SMILESCOC(=O)C1=C(C)Nc2nccn2C1c1ccccc1
InChIInChI=1S/C15H15N3O2/c1-10-12(14(19)20-2)13(11-6-4-3-5-7-11)18-9-8-16-15(18)17-10/h3-9,13H,1-2H3,(H,16,17)
InChIKeyCKWIYKMBYHELDU-UHFFFAOYSA-N
XLogP2.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (4S)-3-acetyl-6-methyl-4-phenyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate
CID 761584
methyl (4S)-2-methyl-4-pyridin-4-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
CID 7342932
methyl 2-methyl-4-pyridin-4-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
CID 4899870
(4R)-5-methoxycarbonyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3-carboxylic acid
CID 15004146
4-[(7S)-6-methoxycarbonyl-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoic acid
CID 725556
methyl 2-methyl-4-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
CID 4893827
methyl 2,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyridin-3-ide-5-carboxylate;yttrium
CID 59920112
methyl (4R)-4-(4-chlorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
CID 7008844
methyl (4S)-4-(4-fluorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
CID 1093125
methyl 4-(4-fluorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
CID 3157892
ethyl (7R)-5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 693432
methyl 6-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2728918

Frequently Asked Questions

What is the IUPAC name of methyl 7-methyl-5-phenyl-5,8-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate?
The IUPAC name of methyl 7-methyl-5-phenyl-5,8-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate (CID 70354637) is methyl 7-methyl-5-phenyl-5,8-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 7-methyl-5-phenyl-5,8-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 7-methyl-5-phenyl-5,8-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate is COC(=O)C1=C(C)Nc2nccn2C1c1ccccc1.
What is the InChIKey of methyl 7-methyl-5-phenyl-5,8-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate?
The InChIKey is CKWIYKMBYHELDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10-12(14(19)20-2)13(11-6-4-3-5-7-11)18-9-8-16-15(18)17-10/h3-9,13H,1-2H3,(H,16,17).
What are the key properties of methyl 7-methyl-5-phenyl-5,8-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate?
methyl 7-methyl-5-phenyl-5,8-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate has a molecular weight of 269.30 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methyl-5-phenyl-5,8-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 70354637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).