ethyl 2-amino-4-(3,5-dimethoxyphenyl)-6-phenyl-1,4-dihydropyrimidine-5-carboxylate

C21H23N3O4 — CID 167165844

IUPACethyl 2-amino-4-(3,5-dimethoxyphenyl)-6-phenyl-1,4-dihydropyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)NC(N)=NC1c1cc(OC)cc(OC)c1
InChIInChI=1S/C21H23N3O4/c1-4-28-20(25)17-18(13-8-6-5-7-9-13)23-21(22)24-19(17)14-10-15(26-2)12-16(11-14)27-3/h5-12,19H,4H2,1-3H3,(H3,22,23,24)
InChIKeyHULHKQLZWCVWJF-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.64
Rot. Bonds6

About ethyl 2-amino-4-(3,5-dimethoxyphenyl)-6-phenyl-1,4-dihydropyrimidine-5-carboxylate

ethyl 2-amino-4-(3,5-dimethoxyphenyl)-6-phenyl-1,4-dihydropyrimidine-5-carboxylate (PubChem CID 167165844) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is ethyl 2-amino-4-(3,5-dimethoxyphenyl)-6-phenyl-1,4-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(3,5-dimethoxyphenyl)-6-phenyl-1,4-dihydropyrimidine-5-carboxylate
PubChem CID167165844
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Nameethyl 2-amino-4-(3,5-dimethoxyphenyl)-6-phenyl-1,4-dihydropyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)NC(N)=NC1c1cc(OC)cc(OC)c1
InChIInChI=1S/C21H23N3O4/c1-4-28-20(25)17-18(13-8-6-5-7-9-13)23-21(22)24-19(17)14-10-15(26-2)12-16(11-14)27-3/h5-12,19H,4H2,1-3H3,(H3,22,23,24)
InChIKeyHULHKQLZWCVWJF-UHFFFAOYSA-N
XLogP2.64
TPSA95.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(3,5-dimethoxyphenyl)-6-phenyl-1,4-dihydropyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-amino-4-(3,5-dimethoxyphenyl)-6-phenyl-1,4-dihydropyrimidine-5-carboxylate (CID 167165844) is ethyl 2-amino-4-(3,5-dimethoxyphenyl)-6-phenyl-1,4-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(3,5-dimethoxyphenyl)-6-phenyl-1,4-dihydropyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(3,5-dimethoxyphenyl)-6-phenyl-1,4-dihydropyrimidine-5-carboxylate is CCOC(=O)C1=C(c2ccccc2)NC(N)=NC1c1cc(OC)cc(OC)c1.
What is the InChIKey of ethyl 2-amino-4-(3,5-dimethoxyphenyl)-6-phenyl-1,4-dihydropyrimidine-5-carboxylate?
The InChIKey is HULHKQLZWCVWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-4-28-20(25)17-18(13-8-6-5-7-9-13)23-21(22)24-19(17)14-10-15(26-2)12-16(11-14)27-3/h5-12,19H,4H2,1-3H3,(H3,22,23,24).
What are the key properties of ethyl 2-amino-4-(3,5-dimethoxyphenyl)-6-phenyl-1,4-dihydropyrimidine-5-carboxylate?
ethyl 2-amino-4-(3,5-dimethoxyphenyl)-6-phenyl-1,4-dihydropyrimidine-5-carboxylate has a molecular weight of 381.43 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(3,5-dimethoxyphenyl)-6-phenyl-1,4-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 167165844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).