ethyl 2-hydroxy-6-methyl-4-phenyl-1,3-dipropyl-2,4-dihydropyrimidine-5-carboxylate

C20H30N2O3 — CID 174676086

IUPACethyl 2-hydroxy-6-methyl-4-phenyl-1,3-dipropyl-2,4-dihydropyrimidine-5-carboxylate
SMILESCCCN1C(C)=C(C(=O)OCC)C(c2ccccc2)N(CCC)C1O
InChIInChI=1S/C20H30N2O3/c1-5-13-21-15(4)17(19(23)25-7-3)18(16-11-9-8-10-12-16)22(14-6-2)20(21)24/h8-12,18,20,24H,5-7,13-14H2,1-4H3
InChIKeyUDURDLGNMLBKAE-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.28
Rot. Bonds7

About ethyl 2-hydroxy-6-methyl-4-phenyl-1,3-dipropyl-2,4-dihydropyrimidine-5-carboxylate

ethyl 2-hydroxy-6-methyl-4-phenyl-1,3-dipropyl-2,4-dihydropyrimidine-5-carboxylate (PubChem CID 174676086) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is ethyl 2-hydroxy-6-methyl-4-phenyl-1,3-dipropyl-2,4-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-hydroxy-6-methyl-4-phenyl-1,3-dipropyl-2,4-dihydropyrimidine-5-carboxylate
PubChem CID174676086
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Nameethyl 2-hydroxy-6-methyl-4-phenyl-1,3-dipropyl-2,4-dihydropyrimidine-5-carboxylate
SMILESCCCN1C(C)=C(C(=O)OCC)C(c2ccccc2)N(CCC)C1O
InChIInChI=1S/C20H30N2O3/c1-5-13-21-15(4)17(19(23)25-7-3)18(16-11-9-8-10-12-16)22(14-6-2)20(21)24/h8-12,18,20,24H,5-7,13-14H2,1-4H3
InChIKeyUDURDLGNMLBKAE-UHFFFAOYSA-N
XLogP3.28
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

butyl 1,3-bis(4-bromobutyl)-2-hydroxy-6-methyl-4-phenyl-2,4-dihydropyrimidine-5-carboxylate
CID 175291081
ethyl 1,3-bis(4-bromobutyl)-2-hydroxy-4-(4-methoxyphenyl)-6-methyl-2,4-dihydropyrimidine-5-carboxylate
CID 174762604
diethyl (2S,5R)-1,2,5-triphenyl-2,5-dihydropyrrole-3,4-dicarboxylate
CID 92534220
ethyl (4R)-3-acetyl-1,6-dimethyl-4-phenyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate
CID 7003889
benzyl 1,3,6-trimethyl-2-oxo-4-phenyl-4H-pyrimidine-5-carboxylate
CID 2794054
ethyl 6-methyl-1,2,3,4-tetraphenyl-2,4-dihydropyrimidine-5-carboxylate
CID 45064251
ethyl 8-(diethylamino)-1,2,7,9-tetramethyl-6-oxo-4-phenyl-4H-pyrido[1,2-a]pyrimidine-3-carboxylate
CID 10669982
benzyl 1-benzyl-3-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-4-phenyl-4H-pyrimidine-5-carboxylate
CID 71768437
ethyl 4-(hydroxyamino)-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate
CID 4996263
ethyl 2-amino-3-butyl-4,6-diphenyl-4H-pyrimidine-5-carboxylate
CID 10691005
ethyl (6S)-3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 721516
ethyl (4S)-3-(3-methoxy-3-oxopropyl)-6-methyl-4-phenyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate
CID 124527865

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-6-methyl-4-phenyl-1,3-dipropyl-2,4-dihydropyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-hydroxy-6-methyl-4-phenyl-1,3-dipropyl-2,4-dihydropyrimidine-5-carboxylate (CID 174676086) is ethyl 2-hydroxy-6-methyl-4-phenyl-1,3-dipropyl-2,4-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-hydroxy-6-methyl-4-phenyl-1,3-dipropyl-2,4-dihydropyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-hydroxy-6-methyl-4-phenyl-1,3-dipropyl-2,4-dihydropyrimidine-5-carboxylate is CCCN1C(C)=C(C(=O)OCC)C(c2ccccc2)N(CCC)C1O.
What is the InChIKey of ethyl 2-hydroxy-6-methyl-4-phenyl-1,3-dipropyl-2,4-dihydropyrimidine-5-carboxylate?
The InChIKey is UDURDLGNMLBKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-5-13-21-15(4)17(19(23)25-7-3)18(16-11-9-8-10-12-16)22(14-6-2)20(21)24/h8-12,18,20,24H,5-7,13-14H2,1-4H3.
What are the key properties of ethyl 2-hydroxy-6-methyl-4-phenyl-1,3-dipropyl-2,4-dihydropyrimidine-5-carboxylate?
ethyl 2-hydroxy-6-methyl-4-phenyl-1,3-dipropyl-2,4-dihydropyrimidine-5-carboxylate has a molecular weight of 346.47 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-6-methyl-4-phenyl-1,3-dipropyl-2,4-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 174676086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).