ethyl 2-oxo-6-[[[(S)-phenyl(thiophen-2-yl)methyl]amino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

C19H21N3O3S — CID 30014508

IUPACethyl 2-oxo-6-[[[(S)-phenyl(thiophen-2-yl)methyl]amino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(CN[C@@H](c2ccccc2)c2cccs2)NC(=O)NC1
InChIInChI=1S/C19H21N3O3S/c1-2-25-18(23)14-11-21-19(24)22-15(14)12-20-17(16-9-6-10-26-16)13-7-4-3-5-8-13/h3-10,17,20H,2,11-12H2,1H3,(H2,21,22,24)/t17-/m0/s1
InChIKeyJPRFZZNNRINTQW-KRWDZBQOSA-N
MW371.46 g/mol
LogP2.56
Rot. Bonds7

About ethyl 2-oxo-6-[[[(S)-phenyl(thiophen-2-yl)methyl]amino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl 2-oxo-6-[[[(S)-phenyl(thiophen-2-yl)methyl]amino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 30014508) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is ethyl 2-oxo-6-[[[(S)-phenyl(thiophen-2-yl)methyl]amino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-6-[[[(S)-phenyl(thiophen-2-yl)methyl]amino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID30014508
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Nameethyl 2-oxo-6-[[[(S)-phenyl(thiophen-2-yl)methyl]amino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(CN[C@@H](c2ccccc2)c2cccs2)NC(=O)NC1
InChIInChI=1S/C19H21N3O3S/c1-2-25-18(23)14-11-21-19(24)22-15(14)12-20-17(16-9-6-10-26-16)13-7-4-3-5-8-13/h3-10,17,20H,2,11-12H2,1H3,(H2,21,22,24)/t17-/m0/s1
InChIKeyJPRFZZNNRINTQW-KRWDZBQOSA-N
XLogP2.56
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze ethyl 2-oxo-6-[[[(S)-phenyl(thiophen-2-yl)methyl]amino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[phenyl(thiophen-2-yl)methyl]carbamate
CID 13090015
ethyl 6-[[[2-methyl-1-(4-propylphenyl)propyl]amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46615054
ethyl 2-oxo-6-[(4-oxo-4-thiophen-2-ylbutanoyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 27919236
ethyl 6-[[benzyl(ethyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 8547566
ethyl 2-oxo-6-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46810576
ethyl 2-oxo-6-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46563948
ethyl 6-[3-(benzenesulfonyl)propanoyloxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 22109614
ethyl 2-oxo-6-[[(2R)-2-phenylmorpholin-4-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 36734020
ethyl (4R)-4-ethyl-6-[[[(S)-furan-2-yl(phenyl)methyl]amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 8755674
ethyl 4-[[(S)-phenyl(thiophen-2-yl)methyl]sulfamoyl]benzoate
CID 8816031
ethyl N-[(4-fluorophenyl)-thiophen-2-ylmethyl]carbamate
CID 60664930
[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-[(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl]-methylazanium
CID 9048539

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-6-[[[(S)-phenyl(thiophen-2-yl)methyl]amino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-oxo-6-[[[(S)-phenyl(thiophen-2-yl)methyl]amino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 30014508) is ethyl 2-oxo-6-[[[(S)-phenyl(thiophen-2-yl)methyl]amino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-oxo-6-[[[(S)-phenyl(thiophen-2-yl)methyl]amino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-oxo-6-[[[(S)-phenyl(thiophen-2-yl)methyl]amino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(CN[C@@H](c2ccccc2)c2cccs2)NC(=O)NC1.
What is the InChIKey of ethyl 2-oxo-6-[[[(S)-phenyl(thiophen-2-yl)methyl]amino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is JPRFZZNNRINTQW-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-2-25-18(23)14-11-21-19(24)22-15(14)12-20-17(16-9-6-10-26-16)13-7-4-3-5-8-13/h3-10,17,20H,2,11-12H2,1H3,(H2,21,22,24)/t17-/m0/s1.
What are the key properties of ethyl 2-oxo-6-[[[(S)-phenyl(thiophen-2-yl)methyl]amino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 2-oxo-6-[[[(S)-phenyl(thiophen-2-yl)methyl]amino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 371.46 g/mol, XLogP of 2.56, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-6-[[[(S)-phenyl(thiophen-2-yl)methyl]amino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 30014508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).