3-(4-chlorophenyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-2,4-dione

C15H16ClN3O3 — CID 3241883

IUPAC3-(4-chlorophenyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(NCC2CCCO2)[nH]c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3O3/c16-10-3-5-11(6-4-10)19-14(20)8-13(18-15(19)21)17-9-12-2-1-7-22-12/h3-6,8,12,17H,1-2,7,9H2,(H,18,21)
InChIKeyLINXWRXZRAEYRQ-UHFFFAOYSA-N
MW321.76 g/mol
LogP1.77
Rot. Bonds4

About 3-(4-chlorophenyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-2,4-dione

3-(4-chlorophenyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-2,4-dione (PubChem CID 3241883) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-2,4-dione
PubChem CID3241883
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC Name3-(4-chlorophenyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(NCC2CCCO2)[nH]c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3O3/c16-10-3-5-11(6-4-10)19-14(20)8-13(18-15(19)21)17-9-12-2-1-7-22-12/h3-6,8,12,17H,1-2,7,9H2,(H,18,21)
InChIKeyLINXWRXZRAEYRQ-UHFFFAOYSA-N
XLogP1.77
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(4-chlorophenyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-2,4-dione 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

N-(4-chlorophenyl)morpholine-4-carboxamide
CID 759971
Urea, 1-(p-chlorophenyl)-3-(3-morpholinopropyl)-
CID 1809198
N-(4-chlorophenyl)-N'-[2-(4-morpholinyl)ethyl]urea
CID 873825
N-(4-chlorophenyl)-1-oxa-4-azaspiro[4.5]decane-4-carboxamide
CID 1472890
1-(4-Chlorophenyl)-3-(oxolan-2-ylmethyl)thiourea
CID 2897805
4-(N-(4-Chlorophenyl)carbamoyl)-2,6-dimethylmorpholine
CID 98721
3-(4-chlorophenyl)-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione
CID 396879
3-(4-chlorophenyl)-6-morpholinopyrimidine-2,4(1H,3H)-dione
CID 4622524
3-(4-chlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)-1H-pyrimidine-2,4-dione
CID 4622525
N-(4-chlorophenyl)-N'-[1-(tetrahydro-2-furanyl)ethyl]urea
CID 6467040
[(4-chlorophenyl)amino]-N,N-bis(2-methoxyethyl)carboxamide
CID 304001
1-N-(4-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 3219826

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(4-chlorophenyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-2,4-dione (CID 3241883) is 3-(4-chlorophenyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(4-chlorophenyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-2,4-dione is O=c1cc(NCC2CCCO2)[nH]c(=O)n1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-2,4-dione?
The InChIKey is LINXWRXZRAEYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c16-10-3-5-11(6-4-10)19-14(20)8-13(18-15(19)21)17-9-12-2-1-7-22-12/h3-6,8,12,17H,1-2,7,9H2,(H,18,21).
What are the key properties of 3-(4-chlorophenyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-2,4-dione?
3-(4-chlorophenyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-2,4-dione has a molecular weight of 321.76 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3241883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).