propan-2-yl 4-[4-[2-(dipropylamino)-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C24H35N3O6 — CID 110847334

IUPACpropan-2-yl 4-[4-[2-(dipropylamino)-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCCN(CCC)C(=O)COc1ccc(C2NC(=O)NC(C)=C2C(=O)OC(C)C)cc1OC
InChIInChI=1S/C24H35N3O6/c1-7-11-27(12-8-2)20(28)14-32-18-10-9-17(13-19(18)31-6)22-21(23(29)33-15(3)4)16(5)25-24(30)26-22/h9-10,13,15,22H,7-8,11-12,14H2,1-6H3,(H2,25,26,30)
InChIKeyCRERRAXRFMPBBF-UHFFFAOYSA-N
MW461.56 g/mol
LogP3.30
Rot. Bonds11

About propan-2-yl 4-[4-[2-(dipropylamino)-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

propan-2-yl 4-[4-[2-(dipropylamino)-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 110847334) has the molecular formula C24H35N3O6 and a molecular weight of 461.56 g/mol. Its IUPAC name is propan-2-yl 4-[4-[2-(dipropylamino)-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[4-[2-(dipropylamino)-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID110847334
Molecular FormulaC24H35N3O6
Molecular Weight461.56 g/mol
Exact Mass461.25
IUPAC Namepropan-2-yl 4-[4-[2-(dipropylamino)-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCCN(CCC)C(=O)COc1ccc(C2NC(=O)NC(C)=C2C(=O)OC(C)C)cc1OC
InChIInChI=1S/C24H35N3O6/c1-7-11-27(12-8-2)20(28)14-32-18-10-9-17(13-19(18)31-6)22-21(23(29)33-15(3)4)16(5)25-24(30)26-22/h9-10,13,15,22H,7-8,11-12,14H2,1-6H3,(H2,25,26,30)
InChIKeyCRERRAXRFMPBBF-UHFFFAOYSA-N
XLogP3.30
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl 4-(3-ethoxy-4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 4607677
propan-2-yl (4R)-4-(3-methoxy-4-prop-2-enoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7470416
[(2R)-3,3-dimethylbutan-2-yl] (4R)-4-(3-methoxy-4-propoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7250752
ethyl (4S)-4-(4-ethoxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 803073
2-propan-2-yloxyethyl (4R)-4-(3-methoxy-4-propoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7103018
propan-2-yl 6-butyl-4-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110846890
propan-2-yl 6-ethyl-4-(3-methoxy-4-pentoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110844688
ethyl 4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2863237
propan-2-yl (4R)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1036098
propan-2-yl (4R)-4-(4-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 746979
2-chloroethyl (4S)-4-(4-ethoxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7219062
(2S)-2-[4-[(4S)-5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-methoxyphenoxy]propanoate
CID 7126638

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[4-[2-(dipropylamino)-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of propan-2-yl 4-[4-[2-(dipropylamino)-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 110847334) is propan-2-yl 4-[4-[2-(dipropylamino)-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for propan-2-yl 4-[4-[2-(dipropylamino)-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for propan-2-yl 4-[4-[2-(dipropylamino)-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCCN(CCC)C(=O)COc1ccc(C2NC(=O)NC(C)=C2C(=O)OC(C)C)cc1OC.
What is the InChIKey of propan-2-yl 4-[4-[2-(dipropylamino)-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is CRERRAXRFMPBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O6/c1-7-11-27(12-8-2)20(28)14-32-18-10-9-17(13-19(18)31-6)22-21(23(29)33-15(3)4)16(5)25-24(30)26-22/h9-10,13,15,22H,7-8,11-12,14H2,1-6H3,(H2,25,26,30).
What are the key properties of propan-2-yl 4-[4-[2-(dipropylamino)-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
propan-2-yl 4-[4-[2-(dipropylamino)-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 461.56 g/mol, XLogP of 3.30, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[4-[2-(dipropylamino)-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 110847334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).