ethyl 6-(2-chlorophenyl)-4-methyl-2-(1-methylimidazol-2-yl)-1,2,5,6-tetrahydropyrimidine-5-carboxylate

C18H21ClN4O2 — CID 91536512

IUPACethyl 6-(2-chlorophenyl)-4-methyl-2-(1-methylimidazol-2-yl)-1,2,5,6-tetrahydropyrimidine-5-carboxylate
SMILESCCOC(=O)C1C(C)=NC(c2nccn2C)NC1c1ccccc1Cl
InChIInChI=1S/C18H21ClN4O2/c1-4-25-18(24)14-11(2)21-16(17-20-9-10-23(17)3)22-15(14)12-7-5-6-8-13(12)19/h5-10,14-16,22H,4H2,1-3H3
InChIKeyWGKHNCPKZGPAMQ-UHFFFAOYSA-N
MW360.85 g/mol
LogP3.06
Rot. Bonds4

About ethyl 6-(2-chlorophenyl)-4-methyl-2-(1-methylimidazol-2-yl)-1,2,5,6-tetrahydropyrimidine-5-carboxylate

ethyl 6-(2-chlorophenyl)-4-methyl-2-(1-methylimidazol-2-yl)-1,2,5,6-tetrahydropyrimidine-5-carboxylate (PubChem CID 91536512) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is ethyl 6-(2-chlorophenyl)-4-methyl-2-(1-methylimidazol-2-yl)-1,2,5,6-tetrahydropyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2-chlorophenyl)-4-methyl-2-(1-methylimidazol-2-yl)-1,2,5,6-tetrahydropyrimidine-5-carboxylate
PubChem CID91536512
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Nameethyl 6-(2-chlorophenyl)-4-methyl-2-(1-methylimidazol-2-yl)-1,2,5,6-tetrahydropyrimidine-5-carboxylate
SMILESCCOC(=O)C1C(C)=NC(c2nccn2C)NC1c1ccccc1Cl
InChIInChI=1S/C18H21ClN4O2/c1-4-25-18(24)14-11(2)21-16(17-20-9-10-23(17)3)22-15(14)12-7-5-6-8-13(12)19/h5-10,14-16,22H,4H2,1-3H3
InChIKeyWGKHNCPKZGPAMQ-UHFFFAOYSA-N
XLogP3.06
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 6-(2-chlorophenyl)-4-methyl-2-(1-methylimidazol-2-yl)-1,2,5,6-tetrahydropyrimidine-5-carboxylate with MolForge

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Related Compounds

ethyl (4R,5S,6R)-4-(2-chlorophenyl)-6-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)-1,3-diazinane-5-carboxylate
CID 7123599
ethyl 2-(1-methylimidazol-2-yl)cyclopropane-1-carboxylate
CID 135377625
ethyl (2R,3R)-2-(2-chlorophenyl)pyrrolidine-3-carboxylate
CID 129452981
ethyl 7-(2-chlorophenyl)-5-methylidene-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 4113458
6-(2-chlorophenyl)-N,N-diethyl-4-methyl-2-sulfanylidene-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 123412912
ethyl 4-(2-chlorophenyl)-6-formyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 91388299
ethyl 6-(2-bromophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 91210558
ethyl 4-(2,3-dichlorophenyl)-2-methyl-5-oxo-6-propyl-3,4-dihydro-1,6-naphthyridine-3-carboxylate
CID 54560388
cis-ethyl (1S,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylate
CID 86338840
ethyl 4-(2-chlorophenyl)-3-methyl-6-propyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 91391062
ethyl 3-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)prop-2-enoate
CID 47393873
ethyl 4-(2-chlorophenyl)pyrrolidine-3-carboxylate
CID 134162600

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-chlorophenyl)-4-methyl-2-(1-methylimidazol-2-yl)-1,2,5,6-tetrahydropyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-(2-chlorophenyl)-4-methyl-2-(1-methylimidazol-2-yl)-1,2,5,6-tetrahydropyrimidine-5-carboxylate (CID 91536512) is ethyl 6-(2-chlorophenyl)-4-methyl-2-(1-methylimidazol-2-yl)-1,2,5,6-tetrahydropyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-(2-chlorophenyl)-4-methyl-2-(1-methylimidazol-2-yl)-1,2,5,6-tetrahydropyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-(2-chlorophenyl)-4-methyl-2-(1-methylimidazol-2-yl)-1,2,5,6-tetrahydropyrimidine-5-carboxylate is CCOC(=O)C1C(C)=NC(c2nccn2C)NC1c1ccccc1Cl.
What is the InChIKey of ethyl 6-(2-chlorophenyl)-4-methyl-2-(1-methylimidazol-2-yl)-1,2,5,6-tetrahydropyrimidine-5-carboxylate?
The InChIKey is WGKHNCPKZGPAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-4-25-18(24)14-11(2)21-16(17-20-9-10-23(17)3)22-15(14)12-7-5-6-8-13(12)19/h5-10,14-16,22H,4H2,1-3H3.
What are the key properties of ethyl 6-(2-chlorophenyl)-4-methyl-2-(1-methylimidazol-2-yl)-1,2,5,6-tetrahydropyrimidine-5-carboxylate?
ethyl 6-(2-chlorophenyl)-4-methyl-2-(1-methylimidazol-2-yl)-1,2,5,6-tetrahydropyrimidine-5-carboxylate has a molecular weight of 360.85 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-chlorophenyl)-4-methyl-2-(1-methylimidazol-2-yl)-1,2,5,6-tetrahydropyrimidine-5-carboxylate is sourced from PubChem (CID 91536512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).