propan-2-yl (6S)-6-[3-[(3-methoxybenzoyl)amino]phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

C24H27N3O5 — CID 93097971

IUPACpropan-2-yl (6S)-6-[3-[(3-methoxybenzoyl)amino]phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
SMILESCOc1cccc(C(=O)Nc2cccc([C@@H]3NC(=O)N(C)C(C)=C3C(=O)OC(C)C)c2)c1
InChIInChI=1S/C24H27N3O5/c1-14(2)32-23(29)20-15(3)27(4)24(30)26-21(20)16-8-6-10-18(12-16)25-22(28)17-9-7-11-19(13-17)31-5/h6-14,21H,1-5H3,(H,25,28)(H,26,30)/t21-/m0/s1
InChIKeyMGVAXJLXVIZHFI-NRFANRHFSA-N
MW437.50 g/mol
LogP3.87
Rot. Bonds6

About propan-2-yl (6S)-6-[3-[(3-methoxybenzoyl)amino]phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

propan-2-yl (6S)-6-[3-[(3-methoxybenzoyl)amino]phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate (PubChem CID 93097971) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is propan-2-yl (6S)-6-[3-[(3-methoxybenzoyl)amino]phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (6S)-6-[3-[(3-methoxybenzoyl)amino]phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
PubChem CID93097971
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC Namepropan-2-yl (6S)-6-[3-[(3-methoxybenzoyl)amino]phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
SMILESCOc1cccc(C(=O)Nc2cccc([C@@H]3NC(=O)N(C)C(C)=C3C(=O)OC(C)C)c2)c1
InChIInChI=1S/C24H27N3O5/c1-14(2)32-23(29)20-15(3)27(4)24(30)26-21(20)16-8-6-10-18(12-16)25-22(28)17-9-7-11-19(13-17)31-5/h6-14,21H,1-5H3,(H,25,28)(H,26,30)/t21-/m0/s1
InChIKeyMGVAXJLXVIZHFI-NRFANRHFSA-N
XLogP3.87
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

ethyl (6R)-6-[3-[(4-methoxybenzoyl)amino]phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 7361179
2-methoxyethyl 6-[4-[(3-methoxybenzoyl)amino]phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 3906708
propan-2-yl 6-[3-[(4-chlorophenyl)carbamoylamino]phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 42753244
ethyl 3-ethyl-6-[3-[(3-methoxybenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 3607379
propan-2-yl 3-butyl-6-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 5227088
propan-2-yl (6S)-3,4-dimethyl-2-oxo-6-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-1,6-dihydropyrimidine-5-carboxylate
CID 93097977
methyl 6-[3-(1,3-benzodioxole-5-carbonylamino)phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 42660134
propan-2-yl (6R)-6-[3-[(2,4-dimethoxyphenyl)carbamoylamino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 92518068
ethyl 3,4-dimethyl-6-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 4876878
propan-2-yl (6S)-6-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 93056543
2-methylpropyl 6-[3-[[3,5-bis(trifluoromethyl)benzoyl]amino]phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 42753522
ethyl 3,4-dimethyl-6-[3-(3-methylbutanoylamino)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 42753228

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (6S)-6-[3-[(3-methoxybenzoyl)amino]phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The IUPAC name of propan-2-yl (6S)-6-[3-[(3-methoxybenzoyl)amino]phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate (CID 93097971) is propan-2-yl (6S)-6-[3-[(3-methoxybenzoyl)amino]phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for propan-2-yl (6S)-6-[3-[(3-methoxybenzoyl)amino]phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The canonical SMILES for propan-2-yl (6S)-6-[3-[(3-methoxybenzoyl)amino]phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate is COc1cccc(C(=O)Nc2cccc([C@@H]3NC(=O)N(C)C(C)=C3C(=O)OC(C)C)c2)c1.
What is the InChIKey of propan-2-yl (6S)-6-[3-[(3-methoxybenzoyl)amino]phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The InChIKey is MGVAXJLXVIZHFI-NRFANRHFSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-14(2)32-23(29)20-15(3)27(4)24(30)26-21(20)16-8-6-10-18(12-16)25-22(28)17-9-7-11-19(13-17)31-5/h6-14,21H,1-5H3,(H,25,28)(H,26,30)/t21-/m0/s1.
What are the key properties of propan-2-yl (6S)-6-[3-[(3-methoxybenzoyl)amino]phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
propan-2-yl (6S)-6-[3-[(3-methoxybenzoyl)amino]phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate has a molecular weight of 437.50 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (6S)-6-[3-[(3-methoxybenzoyl)amino]phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 93097971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).