6-amino-3-[(2,6-dichlorophenyl)methyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione

C18H22Cl2N4O3 — CID 9355170

IUPAC6-amino-3-[(2,6-dichlorophenyl)methyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(N2CCOCC2)c(=O)n(Cc2c(Cl)cccc2Cl)c1=O
InChIInChI=1S/C18H22Cl2N4O3/c1-2-6-23-16(21)15(22-7-9-27-10-8-22)17(25)24(18(23)26)11-12-13(19)4-3-5-14(12)20/h3-5H,2,6-11,21H2,1H3
InChIKeyYYGLKELUMWRTOB-UHFFFAOYSA-N
MW413.31 g/mol
LogP2.19
Rot. Bonds5

About 6-amino-3-[(2,6-dichlorophenyl)methyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione

6-amino-3-[(2,6-dichlorophenyl)methyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione (PubChem CID 9355170) has the molecular formula C18H22Cl2N4O3 and a molecular weight of 413.31 g/mol. Its IUPAC name is 6-amino-3-[(2,6-dichlorophenyl)methyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-[(2,6-dichlorophenyl)methyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione
PubChem CID9355170
Molecular FormulaC18H22Cl2N4O3
Molecular Weight413.31 g/mol
Exact Mass412.11
IUPAC Name6-amino-3-[(2,6-dichlorophenyl)methyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(N2CCOCC2)c(=O)n(Cc2c(Cl)cccc2Cl)c1=O
InChIInChI=1S/C18H22Cl2N4O3/c1-2-6-23-16(21)15(22-7-9-27-10-8-22)17(25)24(18(23)26)11-12-13(19)4-3-5-14(12)20/h3-5H,2,6-11,21H2,1H3
InChIKeyYYGLKELUMWRTOB-UHFFFAOYSA-N
XLogP2.19
TPSA82.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[(2,6-dichlorophenyl)methyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-[(2,6-dichlorophenyl)methyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione (CID 9355170) is 6-amino-3-[(2,6-dichlorophenyl)methyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-[(2,6-dichlorophenyl)methyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-[(2,6-dichlorophenyl)methyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(N2CCOCC2)c(=O)n(Cc2c(Cl)cccc2Cl)c1=O.
What is the InChIKey of 6-amino-3-[(2,6-dichlorophenyl)methyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione?
The InChIKey is YYGLKELUMWRTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4O3/c1-2-6-23-16(21)15(22-7-9-27-10-8-22)17(25)24(18(23)26)11-12-13(19)4-3-5-14(12)20/h3-5H,2,6-11,21H2,1H3.
What are the key properties of 6-amino-3-[(2,6-dichlorophenyl)methyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione?
6-amino-3-[(2,6-dichlorophenyl)methyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione has a molecular weight of 413.31 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[(2,6-dichlorophenyl)methyl]-5-morpholin-4-yl-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 9355170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).