ethyl 2-amino-4-[4-(dimethylamino)phenyl]-6-phenyl-1,4-dihydropyrimidine-5-carboxylate

C21H24N4O2 — CID 167165846

IUPACethyl 2-amino-4-[4-(dimethylamino)phenyl]-6-phenyl-1,4-dihydropyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)NC(N)=NC1c1ccc(N(C)C)cc1
InChIInChI=1S/C21H24N4O2/c1-4-27-20(26)17-18(14-8-6-5-7-9-14)23-21(22)24-19(17)15-10-12-16(13-11-15)25(2)3/h5-13,19H,4H2,1-3H3,(H3,22,23,24)
InChIKeyNWDNGEVCHWFGHG-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.69
Rot. Bonds5

About ethyl 2-amino-4-[4-(dimethylamino)phenyl]-6-phenyl-1,4-dihydropyrimidine-5-carboxylate

ethyl 2-amino-4-[4-(dimethylamino)phenyl]-6-phenyl-1,4-dihydropyrimidine-5-carboxylate (PubChem CID 167165846) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is ethyl 2-amino-4-[4-(dimethylamino)phenyl]-6-phenyl-1,4-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-[4-(dimethylamino)phenyl]-6-phenyl-1,4-dihydropyrimidine-5-carboxylate
PubChem CID167165846
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Nameethyl 2-amino-4-[4-(dimethylamino)phenyl]-6-phenyl-1,4-dihydropyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)NC(N)=NC1c1ccc(N(C)C)cc1
InChIInChI=1S/C21H24N4O2/c1-4-27-20(26)17-18(14-8-6-5-7-9-14)23-21(22)24-19(17)15-10-12-16(13-11-15)25(2)3/h5-13,19H,4H2,1-3H3,(H3,22,23,24)
InChIKeyNWDNGEVCHWFGHG-UHFFFAOYSA-N
XLogP2.69
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-[4-(dimethylamino)phenyl]-6-phenyl-1,4-dihydropyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-amino-4-[4-(dimethylamino)phenyl]-6-phenyl-1,4-dihydropyrimidine-5-carboxylate (CID 167165846) is ethyl 2-amino-4-[4-(dimethylamino)phenyl]-6-phenyl-1,4-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-[4-(dimethylamino)phenyl]-6-phenyl-1,4-dihydropyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-amino-4-[4-(dimethylamino)phenyl]-6-phenyl-1,4-dihydropyrimidine-5-carboxylate is CCOC(=O)C1=C(c2ccccc2)NC(N)=NC1c1ccc(N(C)C)cc1.
What is the InChIKey of ethyl 2-amino-4-[4-(dimethylamino)phenyl]-6-phenyl-1,4-dihydropyrimidine-5-carboxylate?
The InChIKey is NWDNGEVCHWFGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-4-27-20(26)17-18(14-8-6-5-7-9-14)23-21(22)24-19(17)15-10-12-16(13-11-15)25(2)3/h5-13,19H,4H2,1-3H3,(H3,22,23,24).
What are the key properties of ethyl 2-amino-4-[4-(dimethylamino)phenyl]-6-phenyl-1,4-dihydropyrimidine-5-carboxylate?
ethyl 2-amino-4-[4-(dimethylamino)phenyl]-6-phenyl-1,4-dihydropyrimidine-5-carboxylate has a molecular weight of 364.45 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-[4-(dimethylamino)phenyl]-6-phenyl-1,4-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 167165846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).