ethyl 2-amino-6-ethyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine-5-carboxylate

C21H23N3O2 — CID 167165962

IUPACethyl 2-amino-6-ethyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(CC)NC(N)=NC1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H23N3O2/c1-3-17-18(20(25)26-4-2)19(24-21(22)23-17)16-12-10-15(11-13-16)14-8-6-5-7-9-14/h5-13,19H,3-4H2,1-2H3,(H3,22,23,24)
InChIKeyYXEOTNMSYREBEM-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.54
Rot. Bonds5

About ethyl 2-amino-6-ethyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine-5-carboxylate

ethyl 2-amino-6-ethyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine-5-carboxylate (PubChem CID 167165962) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is ethyl 2-amino-6-ethyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-6-ethyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine-5-carboxylate
PubChem CID167165962
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Nameethyl 2-amino-6-ethyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(CC)NC(N)=NC1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H23N3O2/c1-3-17-18(20(25)26-4-2)19(24-21(22)23-17)16-12-10-15(11-13-16)14-8-6-5-7-9-14/h5-13,19H,3-4H2,1-2H3,(H3,22,23,24)
InChIKeyYXEOTNMSYREBEM-UHFFFAOYSA-N
XLogP3.54
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-4-(3,5-dimethoxyphenyl)-6-phenyl-1,4-dihydropyrimidine-5-carboxylate
CID 167165844
ethyl 2-amino-6-methyl-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxylate
CID 135035188
ethyl 2-amino-4-(2,4-dimethylphenyl)-6-phenyl-1,4-dihydropyrimidine-5-carboxylate
CID 167165880
ethyl 2-amino-4-(3,5-dichlorophenyl)-6-(3-methylphenyl)-1,4-dihydropyrimidine-5-carboxylate
CID 167165963
ethyl 7,7-dimethyl-5-oxo-4-(4-phenylphenyl)-2-propyl-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 58512904
3-[(5-ethoxycarbonyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]propanoic acid
CID 4287157
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl 2-amino-4-[4-[2-(2-chloroanilino)-2-oxoethoxy]-3-methoxyphenyl]-6-phenyl-1,4-dihydropyrimidine-5-carboxylate
CID 4840477
ethyl 2-(furan-2-yl)-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylate
CID 25000558
ethyl 2-(3-ethoxy-3-oxopropyl)sulfanyl-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylate
CID 14397949
ethyl (4R)-6-amino-5-cyano-2-methyl-4-(4-phenylphenyl)-4H-pyran-3-carboxylate
CID 1035685
ethyl 2,4-diphenyl-1,4-dihydroquinoline-3-carboxylate
CID 25136014

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-6-ethyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-amino-6-ethyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine-5-carboxylate (CID 167165962) is ethyl 2-amino-6-ethyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-amino-6-ethyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-amino-6-ethyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine-5-carboxylate is CCOC(=O)C1=C(CC)NC(N)=NC1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of ethyl 2-amino-6-ethyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine-5-carboxylate?
The InChIKey is YXEOTNMSYREBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-3-17-18(20(25)26-4-2)19(24-21(22)23-17)16-12-10-15(11-13-16)14-8-6-5-7-9-14/h5-13,19H,3-4H2,1-2H3,(H3,22,23,24).
What are the key properties of ethyl 2-amino-6-ethyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine-5-carboxylate?
ethyl 2-amino-6-ethyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine-5-carboxylate has a molecular weight of 349.43 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-6-ethyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 167165962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).