methyl 2-[[(4R)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate

C18H17N3O5 — CID 7462474

IUPACmethyl 2-[[(4R)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccco1
InChIInChI=1S/C18H17N3O5/c1-10-14(15(21-18(24)19-10)13-8-5-9-26-13)16(22)20-12-7-4-3-6-11(12)17(23)25-2/h3-9,15H,1-2H3,(H,20,22)(H2,19,21,24)/t15-/m0/s1
InChIKeyGEUILQXVBCQDNL-HNNXBMFYSA-N
MW355.35 g/mol
LogP2.33
Rot. Bonds4

About methyl 2-[[(4R)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate

methyl 2-[[(4R)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate (PubChem CID 7462474) has the molecular formula C18H17N3O5 and a molecular weight of 355.35 g/mol. Its IUPAC name is methyl 2-[[(4R)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[(4R)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate
PubChem CID7462474
Molecular FormulaC18H17N3O5
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC Namemethyl 2-[[(4R)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccco1
InChIInChI=1S/C18H17N3O5/c1-10-14(15(21-18(24)19-10)13-8-5-9-26-13)16(22)20-12-7-4-3-6-11(12)17(23)25-2/h3-9,15H,1-2H3,(H,20,22)(H2,19,21,24)/t15-/m0/s1
InChIKeyGEUILQXVBCQDNL-HNNXBMFYSA-N
XLogP2.33
TPSA109.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[(4R)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-[[6-methyl-4-(5-nitrofuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate
CID 2962641
4-(furan-2-yl)-N-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 23966093
ethyl 4-[[(4S)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate
CID 51852431
propan-2-yl (4R)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1161319
propyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 15524546
(4R)-N-(2-methoxyphenyl)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 6990215
(4R)-4-(4-hydroxyphenyl)-N-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 980702
pentyl (4S)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7053020
ethyl 4-(furan-2-yl)-6-[(2-iodobenzoyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55401266
(4R)-6-methyl-N-(2-methylphenyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 695897
methyl 2-[[4-(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate
CID 19616872
(4R)-4-(4-hydroxyphenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 810290

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(4R)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[(4R)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate (CID 7462474) is methyl 2-[[(4R)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[(4R)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[(4R)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccco1.
What is the InChIKey of methyl 2-[[(4R)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate?
The InChIKey is GEUILQXVBCQDNL-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H17N3O5/c1-10-14(15(21-18(24)19-10)13-8-5-9-26-13)16(22)20-12-7-4-3-6-11(12)17(23)25-2/h3-9,15H,1-2H3,(H,20,22)(H2,19,21,24)/t15-/m0/s1.
What are the key properties of methyl 2-[[(4R)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate?
methyl 2-[[(4R)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate has a molecular weight of 355.35 g/mol, XLogP of 2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(4R)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate is sourced from PubChem (CID 7462474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).