3,6-dimethyl-5-(morpholin-4-ylmethyl)-1-phenylpyrimidine-2,4-dione

C17H21N3O3 — CID 3041140

IUPAC3,6-dimethyl-5-(morpholin-4-ylmethyl)-1-phenylpyrimidine-2,4-dione
SMILESCc1c(CN2CCOCC2)c(=O)n(C)c(=O)n1-c1ccccc1
InChIInChI=1S/C17H21N3O3/c1-13-15(12-19-8-10-23-11-9-19)16(21)18(2)17(22)20(13)14-6-4-3-5-7-14/h3-7H,8-12H2,1-2H3
InChIKeyBWVDQAHFIVIDLL-UHFFFAOYSA-N
MW315.37 g/mol
LogP0.68
Rot. Bonds3

About 3,6-dimethyl-5-(morpholin-4-ylmethyl)-1-phenylpyrimidine-2,4-dione

3,6-dimethyl-5-(morpholin-4-ylmethyl)-1-phenylpyrimidine-2,4-dione (PubChem CID 3041140) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3,6-dimethyl-5-(morpholin-4-ylmethyl)-1-phenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3,6-dimethyl-5-(morpholin-4-ylmethyl)-1-phenylpyrimidine-2,4-dione
PubChem CID3041140
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name3,6-dimethyl-5-(morpholin-4-ylmethyl)-1-phenylpyrimidine-2,4-dione
SMILESCc1c(CN2CCOCC2)c(=O)n(C)c(=O)n1-c1ccccc1
InChIInChI=1S/C17H21N3O3/c1-13-15(12-19-8-10-23-11-9-19)16(21)18(2)17(22)20(13)14-6-4-3-5-7-14/h3-7H,8-12H2,1-2H3
InChIKeyBWVDQAHFIVIDLL-UHFFFAOYSA-N
XLogP0.68
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-5-(morpholin-4-ylmethyl)-1-phenylpyrimidine-2,4-dione?
The IUPAC name of 3,6-dimethyl-5-(morpholin-4-ylmethyl)-1-phenylpyrimidine-2,4-dione (CID 3041140) is 3,6-dimethyl-5-(morpholin-4-ylmethyl)-1-phenylpyrimidine-2,4-dione.
What is the SMILES notation for 3,6-dimethyl-5-(morpholin-4-ylmethyl)-1-phenylpyrimidine-2,4-dione?
The canonical SMILES for 3,6-dimethyl-5-(morpholin-4-ylmethyl)-1-phenylpyrimidine-2,4-dione is Cc1c(CN2CCOCC2)c(=O)n(C)c(=O)n1-c1ccccc1.
What is the InChIKey of 3,6-dimethyl-5-(morpholin-4-ylmethyl)-1-phenylpyrimidine-2,4-dione?
The InChIKey is BWVDQAHFIVIDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-13-15(12-19-8-10-23-11-9-19)16(21)18(2)17(22)20(13)14-6-4-3-5-7-14/h3-7H,8-12H2,1-2H3.
What are the key properties of 3,6-dimethyl-5-(morpholin-4-ylmethyl)-1-phenylpyrimidine-2,4-dione?
3,6-dimethyl-5-(morpholin-4-ylmethyl)-1-phenylpyrimidine-2,4-dione has a molecular weight of 315.37 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-5-(morpholin-4-ylmethyl)-1-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 3041140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).