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

C18H21F2N3O3 — CID 3339963

IUPAC5-[(2,4-difluorophenyl)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)cc2F)CC(C)O1
InChIInChI=1S/C18H21F2N3O3/c1-10-8-23(9-11(2)26-10)16-14(17(24)22(3)18(25)21-16)6-12-4-5-13(19)7-15(12)20/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,21,25)
InChIKeyJDTMBQJSMUCPBJ-UHFFFAOYSA-N
MW365.38 g/mol
LogP1.56
Rot. Bonds3

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

5-[(2,4-difluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 3339963) has the molecular formula C18H21F2N3O3 and a molecular weight of 365.38 g/mol. Its IUPAC name is 5-[(2,4-difluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2,4-difluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID3339963
Molecular FormulaC18H21F2N3O3
Molecular Weight365.38 g/mol
Exact Mass365.16
IUPAC Name5-[(2,4-difluorophenyl)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)cc2F)CC(C)O1
InChIInChI=1S/C18H21F2N3O3/c1-10-8-23(9-11(2)26-10)16-14(17(24)22(3)18(25)21-16)6-12-4-5-13(19)7-15(12)20/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,21,25)
InChIKeyJDTMBQJSMUCPBJ-UHFFFAOYSA-N
XLogP1.56
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-Benzyl-5-ethyl-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 460919
3-[(4-fluorophenyl)methyl]-6-morpholin-4-yl-1H-pyrimidine-2,4-dione
CID 4621937
5-(3-(trifluoromethyl)benzyl)-6-(4-hydroxypiperidin-1-yl)-3-methylpyrimidine-2,4(1H,3H)-dione
CID 4290639
6-(2,6-dimethylmorpholino)-3-(4-fluorobenzyl)pyrimidine-2,4(1H,3H)-dione
CID 5310075
6-Benzyl-1,3,8-trimethyl-5-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione
CID 163362265
5-[(3-chlorophenyl)methyl]-6-hydroxy-1-methyl-4-(morpholin-4-yl)pyrimidin-2(1H)-one
CID 4116780
4-(2-fluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 3316871
4-(2,6-difluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 4131756
5-benzyl-3-methyl-6-(4-methylpiperidin-1-yl)-1H-pyrimidine-2,4-dione
CID 44426772
3-(2,5-difluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propanamide
CID 49093391
4-[2-(2-fluorophenyl)acetyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 53608188
4-(3-fluorophenyl)-6-methyl-5-(4-morpholinylcarbonyl)-3,4-dihydro-2(1H)-pyrimidinone
CID 2892705

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-difluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(2,4-difluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione (CID 3339963) is 5-[(2,4-difluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2,4-difluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(2,4-difluorophenyl)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)cc2F)CC(C)O1.
What is the InChIKey of 5-[(2,4-difluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is JDTMBQJSMUCPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O3/c1-10-8-23(9-11(2)26-10)16-14(17(24)22(3)18(25)21-16)6-12-4-5-13(19)7-15(12)20/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,21,25).
What are the key properties of 5-[(2,4-difluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione?
5-[(2,4-difluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 365.38 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-difluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3339963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).