cyclopentyl 4-methyl-2-oxo-6-(4-propan-2-yloxyphenyl)-5,6-dihydro-1H-pyrimidine-5-carboxylate

C20H26N2O4 — CID 91936306

IUPACcyclopentyl 4-methyl-2-oxo-6-(4-propan-2-yloxyphenyl)-5,6-dihydro-1H-pyrimidine-5-carboxylate
SMILESCC1=NC(=O)NC(c2ccc(OC(C)C)cc2)C1C(=O)OC1CCCC1
InChIInChI=1S/C20H26N2O4/c1-12(2)25-16-10-8-14(9-11-16)18-17(13(3)21-20(24)22-18)19(23)26-15-6-4-5-7-15/h8-12,15,17-18H,4-7H2,1-3H3,(H,22,24)
InChIKeyIADSWZBNUQKRFR-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.80
Rot. Bonds5

About cyclopentyl 4-methyl-2-oxo-6-(4-propan-2-yloxyphenyl)-5,6-dihydro-1H-pyrimidine-5-carboxylate

cyclopentyl 4-methyl-2-oxo-6-(4-propan-2-yloxyphenyl)-5,6-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 91936306) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is cyclopentyl 4-methyl-2-oxo-6-(4-propan-2-yloxyphenyl)-5,6-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namecyclopentyl 4-methyl-2-oxo-6-(4-propan-2-yloxyphenyl)-5,6-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID91936306
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Namecyclopentyl 4-methyl-2-oxo-6-(4-propan-2-yloxyphenyl)-5,6-dihydro-1H-pyrimidine-5-carboxylate
SMILESCC1=NC(=O)NC(c2ccc(OC(C)C)cc2)C1C(=O)OC1CCCC1
InChIInChI=1S/C20H26N2O4/c1-12(2)25-16-10-8-14(9-11-16)18-17(13(3)21-20(24)22-18)19(23)26-15-6-4-5-7-15/h8-12,15,17-18H,4-7H2,1-3H3,(H,22,24)
InChIKeyIADSWZBNUQKRFR-UHFFFAOYSA-N
XLogP3.80
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cyclopentyl 4-methyl-2-oxo-6-(4-propan-2-yloxyphenyl)-5,6-dihydro-1H-pyrimidine-5-carboxylate with MolForge

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Related Compounds

Ethyl 4-(4-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 493411
3-[(Phenylacetyl)amino]-3-(4-propoxyphenyl)propanoic acid
CID 4178029
3-(4-Ethoxyphenyl)-3-(2-phenylbutanoylamino)propanoic acid
CID 5038463
3-[(Cyclohexylcarbonyl)amino]-3-(4-isopropoxyphenyl)propanoic acid
CID 3238267
Ethyl 4-[4-(benzyloxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 3124336
Ethyl 4-[3-(ethoxymethyl)-4-methoxyphenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CID 2947286
Pentyl 4-(4-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 3090143
4-(4-Methoxy-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid 3-methyl-cyclohexyl ester
CID 3090729
3-[(Ethoxycarbonyl)amino]-3-(4-ethoxyphenyl)propanoic acid
CID 3238651
4-(4-Methoxyphenyl)-6-phenyl-5-ethoxy-carbonyl-3,4-dihydropyrimidin-2(1h)-one
CID 3569549
3-[(3,3-Diphenylpropanoyl)amino]-3-(4-propoxyphenyl)propanoic acid
CID 5294686
Allyl 4-(4-ethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CID 3089397

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-methyl-2-oxo-6-(4-propan-2-yloxyphenyl)-5,6-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of cyclopentyl 4-methyl-2-oxo-6-(4-propan-2-yloxyphenyl)-5,6-dihydro-1H-pyrimidine-5-carboxylate (CID 91936306) is cyclopentyl 4-methyl-2-oxo-6-(4-propan-2-yloxyphenyl)-5,6-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for cyclopentyl 4-methyl-2-oxo-6-(4-propan-2-yloxyphenyl)-5,6-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for cyclopentyl 4-methyl-2-oxo-6-(4-propan-2-yloxyphenyl)-5,6-dihydro-1H-pyrimidine-5-carboxylate is CC1=NC(=O)NC(c2ccc(OC(C)C)cc2)C1C(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl 4-methyl-2-oxo-6-(4-propan-2-yloxyphenyl)-5,6-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is IADSWZBNUQKRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-12(2)25-16-10-8-14(9-11-16)18-17(13(3)21-20(24)22-18)19(23)26-15-6-4-5-7-15/h8-12,15,17-18H,4-7H2,1-3H3,(H,22,24).
What are the key properties of cyclopentyl 4-methyl-2-oxo-6-(4-propan-2-yloxyphenyl)-5,6-dihydro-1H-pyrimidine-5-carboxylate?
cyclopentyl 4-methyl-2-oxo-6-(4-propan-2-yloxyphenyl)-5,6-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 358.44 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-methyl-2-oxo-6-(4-propan-2-yloxyphenyl)-5,6-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 91936306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).