methyl 6-[2-[2-[1-(5-methoxycarbonyl-3,4-dimethyl-2-oxo-1,6-dihydropyrimidin-6-yl)naphthalen-2-yl]oxyethoxy]naphthalen-1-yl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

C38H38N4O8 — CID 21235543

IUPACmethyl 6-[2-[2-[1-(5-methoxycarbonyl-3,4-dimethyl-2-oxo-1,6-dihydropyrimidin-6-yl)naphthalen-2-yl]oxyethoxy]naphthalen-1-yl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
SMILESCOC(=O)C1=C(C)N(C)C(=O)NC1c1c(OCCOc2ccc3ccccc3c2C2NC(=O)N(C)C(C)=C2C(=O)OC)ccc2ccccc12
InChIInChI=1S/C38H38N4O8/c1-21-29(35(43)47-5)33(39-37(45)41(21)3)31-25-13-9-7-11-23(25)15-17-27(31)49-19-20-50-28-18-16-24-12-8-10-14-26(24)32(28)34-30(36(44)48-6)22(2)42(4)38(46)40-34/h7-18,33-34H,19-20H2,1-6H3,(H,39,45)(H,40,46)
InChIKeyDAVPWIVQPDGEOV-UHFFFAOYSA-N
MW678.74 g/mol
LogP5.74
Rot. Bonds9

About methyl 6-[2-[2-[1-(5-methoxycarbonyl-3,4-dimethyl-2-oxo-1,6-dihydropyrimidin-6-yl)naphthalen-2-yl]oxyethoxy]naphthalen-1-yl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

methyl 6-[2-[2-[1-(5-methoxycarbonyl-3,4-dimethyl-2-oxo-1,6-dihydropyrimidin-6-yl)naphthalen-2-yl]oxyethoxy]naphthalen-1-yl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate (PubChem CID 21235543) has the molecular formula C38H38N4O8 and a molecular weight of 678.74 g/mol. Its IUPAC name is methyl 6-[2-[2-[1-(5-methoxycarbonyl-3,4-dimethyl-2-oxo-1,6-dihydropyrimidin-6-yl)naphthalen-2-yl]oxyethoxy]naphthalen-1-yl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-[2-[1-(5-methoxycarbonyl-3,4-dimethyl-2-oxo-1,6-dihydropyrimidin-6-yl)naphthalen-2-yl]oxyethoxy]naphthalen-1-yl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
PubChem CID21235543
Molecular FormulaC38H38N4O8
Molecular Weight678.74 g/mol
Exact Mass678.27
IUPAC Namemethyl 6-[2-[2-[1-(5-methoxycarbonyl-3,4-dimethyl-2-oxo-1,6-dihydropyrimidin-6-yl)naphthalen-2-yl]oxyethoxy]naphthalen-1-yl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
SMILESCOC(=O)C1=C(C)N(C)C(=O)NC1c1c(OCCOc2ccc3ccccc3c2C2NC(=O)N(C)C(C)=C2C(=O)OC)ccc2ccccc12
InChIInChI=1S/C38H38N4O8/c1-21-29(35(43)47-5)33(39-37(45)41(21)3)31-25-13-9-7-11-23(25)15-17-27(31)49-19-20-50-28-18-16-24-12-8-10-14-26(24)32(28)34-30(36(44)48-6)22(2)42(4)38(46)40-34/h7-18,33-34H,19-20H2,1-6H3,(H,39,45)(H,40,46)
InChIKeyDAVPWIVQPDGEOV-UHFFFAOYSA-N
XLogP5.74
TPSA135.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.74
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 6-[2-[2-[1-(5-methoxycarbonyl-3,4-dimethyl-2-oxo-1,6-dihydropyrimidin-6-yl)naphthalen-2-yl]oxyethoxy]naphthalen-1-yl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 6-(2-acetyloxynaphthalen-1-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 21237074
methyl (6R)-3,4-dimethyl-6-naphthalen-2-yl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 8862720
methyl 6-[2-[[2-(5-methoxycarbonyl-3,4-dimethyl-2-oxo-1,6-dihydropyrimidin-6-yl)phenoxy]methoxy]phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 21235456
methyl 6-(2-acetyloxynaphthalen-1-yl)-3-benzyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 3428177
methyl (6R)-6-(3,4-diethoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 838262
ethyl (6R)-3,4-dimethyl-6-(2-phenylmethoxynaphthalen-1-yl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 27646179
methyl 6-(2-iodophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 603381
methyl (6S)-6-(3-methoxy-2-phenylmethoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 1310544
methyl (6S)-6-(3,4-dimethoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 748022
methyl (6S)-6-(4-ethylphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 41119288
ethyl 4-[2-[4-[1-(5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 21235556
methyl (4R)-6-methyl-4-(2-phenylmethoxynaphthalen-1-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1033994

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-[2-[1-(5-methoxycarbonyl-3,4-dimethyl-2-oxo-1,6-dihydropyrimidin-6-yl)naphthalen-2-yl]oxyethoxy]naphthalen-1-yl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The IUPAC name of methyl 6-[2-[2-[1-(5-methoxycarbonyl-3,4-dimethyl-2-oxo-1,6-dihydropyrimidin-6-yl)naphthalen-2-yl]oxyethoxy]naphthalen-1-yl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate (CID 21235543) is methyl 6-[2-[2-[1-(5-methoxycarbonyl-3,4-dimethyl-2-oxo-1,6-dihydropyrimidin-6-yl)naphthalen-2-yl]oxyethoxy]naphthalen-1-yl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for methyl 6-[2-[2-[1-(5-methoxycarbonyl-3,4-dimethyl-2-oxo-1,6-dihydropyrimidin-6-yl)naphthalen-2-yl]oxyethoxy]naphthalen-1-yl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The canonical SMILES for methyl 6-[2-[2-[1-(5-methoxycarbonyl-3,4-dimethyl-2-oxo-1,6-dihydropyrimidin-6-yl)naphthalen-2-yl]oxyethoxy]naphthalen-1-yl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate is COC(=O)C1=C(C)N(C)C(=O)NC1c1c(OCCOc2ccc3ccccc3c2C2NC(=O)N(C)C(C)=C2C(=O)OC)ccc2ccccc12.
What is the InChIKey of methyl 6-[2-[2-[1-(5-methoxycarbonyl-3,4-dimethyl-2-oxo-1,6-dihydropyrimidin-6-yl)naphthalen-2-yl]oxyethoxy]naphthalen-1-yl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The InChIKey is DAVPWIVQPDGEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38N4O8/c1-21-29(35(43)47-5)33(39-37(45)41(21)3)31-25-13-9-7-11-23(25)15-17-27(31)49-19-20-50-28-18-16-24-12-8-10-14-26(24)32(28)34-30(36(44)48-6)22(2)42(4)38(46)40-34/h7-18,33-34H,19-20H2,1-6H3,(H,39,45)(H,40,46).
What are the key properties of methyl 6-[2-[2-[1-(5-methoxycarbonyl-3,4-dimethyl-2-oxo-1,6-dihydropyrimidin-6-yl)naphthalen-2-yl]oxyethoxy]naphthalen-1-yl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
methyl 6-[2-[2-[1-(5-methoxycarbonyl-3,4-dimethyl-2-oxo-1,6-dihydropyrimidin-6-yl)naphthalen-2-yl]oxyethoxy]naphthalen-1-yl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate has a molecular weight of 678.74 g/mol, XLogP of 5.74, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-[2-[1-(5-methoxycarbonyl-3,4-dimethyl-2-oxo-1,6-dihydropyrimidin-6-yl)naphthalen-2-yl]oxyethoxy]naphthalen-1-yl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 21235543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).