5-[(2-chloro-4-fluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione

C18H21ClFN3O3 — CID 4062363

IUPAC5-[(2-chloro-4-fluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCC1CN(c2[nH]c(=O)n(C)c(=O)c2Cc2ccc(F)cc2Cl)CC(C)O1
InChIInChI=1S/C18H21ClFN3O3/c1-10-8-23(9-11(2)26-10)16-14(17(24)22(3)18(25)21-16)6-12-4-5-13(20)7-15(12)19/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,21,25)
InChIKeyJOMKEIHASLFCOA-UHFFFAOYSA-N
MW381.84 g/mol
LogP2.07
Rot. Bonds3

About 5-[(2-chloro-4-fluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione

5-[(2-chloro-4-fluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 4062363) has the molecular formula C18H21ClFN3O3 and a molecular weight of 381.84 g/mol. Its IUPAC name is 5-[(2-chloro-4-fluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2-chloro-4-fluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID4062363
Molecular FormulaC18H21ClFN3O3
Molecular Weight381.84 g/mol
Exact Mass381.13
IUPAC Name5-[(2-chloro-4-fluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCC1CN(c2[nH]c(=O)n(C)c(=O)c2Cc2ccc(F)cc2Cl)CC(C)O1
InChIInChI=1S/C18H21ClFN3O3/c1-10-8-23(9-11(2)26-10)16-14(17(24)22(3)18(25)21-16)6-12-4-5-13(20)7-15(12)19/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,21,25)
InChIKeyJOMKEIHASLFCOA-UHFFFAOYSA-N
XLogP2.07
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-chlorophenyl)methyl]-6-hydroxy-1-methyl-4-(morpholin-4-yl)pyrimidin-2(1H)-one
CID 4116780
N-(3-chloro-4-fluorobenzoyl)-2,6-dimethylmorpholine-4-carboxamide
CID 2798012
5-(2-Chloro-6-fluorobenzyl)-6-methyl-2-morpholinopyrimidin-4-ol
CID 135473091
4-(2-chloro-6-fluorophenyl)-2-methyl-3-(4-morpholinylcarbonyl)-4,6,7,8-tetrahydro-5(1H)-quinolinone
CID 2937616
6-(2,6-dimethylmorpholin-4-yl)-3-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
CID 3339962
5-[(2,4-difluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione
CID 3339963
5-[(2-chloro-4-fluorophenyl)methyl]-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methyl-1H-pyrimidine-2,4-dione
CID 3378254
5-[(2,4-difluorophenyl)methyl]-3-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione
CID 3471120
4-(2-chloro-6-fluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 4304137
5-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione
CID 4575706
6-(2-Chloro-6-fluorophenyl)-3-ethyl-4-methyl-5-(morpholine-4-carbonyl)-1,6-dihydropyrimidin-2-one
CID 16286190
(2-{4-[(2-Chloro-4-fluorophenyl)acetyl]-2-morpholinyl}ethyl)dimethylamine
CID 45179410

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-fluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(2-chloro-4-fluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione (CID 4062363) is 5-[(2-chloro-4-fluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2-chloro-4-fluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(2-chloro-4-fluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione is CC1CN(c2[nH]c(=O)n(C)c(=O)c2Cc2ccc(F)cc2Cl)CC(C)O1.
What is the InChIKey of 5-[(2-chloro-4-fluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is JOMKEIHASLFCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN3O3/c1-10-8-23(9-11(2)26-10)16-14(17(24)22(3)18(25)21-16)6-12-4-5-13(20)7-15(12)19/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,21,25).
What are the key properties of 5-[(2-chloro-4-fluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione?
5-[(2-chloro-4-fluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 381.84 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-fluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 4062363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).