propan-2-yl 6-butyl-4-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C26H39N3O6 — CID 110846890

IUPACpropan-2-yl 6-butyl-4-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCCCC1=C(C(=O)OC(C)C)C(c2ccc(OCC(=O)N(CC)CC)c(OCC)c2)NC(=O)N1
InChIInChI=1S/C26H39N3O6/c1-7-11-12-19-23(25(31)35-17(5)6)24(28-26(32)27-19)18-13-14-20(21(15-18)33-10-4)34-16-22(30)29(8-2)9-3/h13-15,17,24H,7-12,16H2,1-6H3,(H2,27,28,32)
InChIKeyUBDQPRARKDXRJF-UHFFFAOYSA-N
MW489.61 g/mol
LogP4.08
Rot. Bonds13

About propan-2-yl 6-butyl-4-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

propan-2-yl 6-butyl-4-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 110846890) has the molecular formula C26H39N3O6 and a molecular weight of 489.61 g/mol. Its IUPAC name is propan-2-yl 6-butyl-4-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 6-butyl-4-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID110846890
Molecular FormulaC26H39N3O6
Molecular Weight489.61 g/mol
Exact Mass489.28
IUPAC Namepropan-2-yl 6-butyl-4-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCCCC1=C(C(=O)OC(C)C)C(c2ccc(OCC(=O)N(CC)CC)c(OCC)c2)NC(=O)N1
InChIInChI=1S/C26H39N3O6/c1-7-11-12-19-23(25(31)35-17(5)6)24(28-26(32)27-19)18-13-14-20(21(15-18)33-10-4)34-16-22(30)29(8-2)9-3/h13-15,17,24H,7-12,16H2,1-6H3,(H2,27,28,32)
InChIKeyUBDQPRARKDXRJF-UHFFFAOYSA-N
XLogP4.08
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.61
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

propan-2-yl 4-(3-ethoxy-4-nonoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110847329
propan-2-yl 6-butyl-4-(3-hydroxy-4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110842742
propan-2-yl 6-butyl-4-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110846282
propan-2-yl 4-(3-bromo-5-ethoxy-4-methoxyphenyl)-6-butyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110846386
propan-2-yl 4-[4-[2-(dipropylamino)-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110847334
propan-2-yl 4-(3-bromo-5-ethoxy-4-propoxyphenyl)-6-butyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110847213
propan-2-yl 6-butyl-4-(3,5-dichloro-4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110844624
propan-2-yl 4-(3-ethoxy-4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 4607677
propan-2-yl 6-ethyl-4-(3-methoxy-4-pentoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110844688
propan-2-yl 6-butyl-4-(3-ethoxy-4-methoxy-5-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110844815
propan-2-yl 4-(3-bromo-4-ethoxyphenyl)-6-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110845114
ethyl 6-butyl-4-[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110846636

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6-butyl-4-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of propan-2-yl 6-butyl-4-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 110846890) is propan-2-yl 6-butyl-4-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for propan-2-yl 6-butyl-4-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for propan-2-yl 6-butyl-4-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCCCC1=C(C(=O)OC(C)C)C(c2ccc(OCC(=O)N(CC)CC)c(OCC)c2)NC(=O)N1.
What is the InChIKey of propan-2-yl 6-butyl-4-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is UBDQPRARKDXRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O6/c1-7-11-12-19-23(25(31)35-17(5)6)24(28-26(32)27-19)18-13-14-20(21(15-18)33-10-4)34-16-22(30)29(8-2)9-3/h13-15,17,24H,7-12,16H2,1-6H3,(H2,27,28,32).
What are the key properties of propan-2-yl 6-butyl-4-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
propan-2-yl 6-butyl-4-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 489.61 g/mol, XLogP of 4.08, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-butyl-4-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 110846890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).