5-(4,6-dimethylpyrimidin-2-yl)-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione

C18H20N4O3 — CID 3455499

IUPAC5-(4,6-dimethylpyrimidin-2-yl)-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione
SMILESCOc1ccc(CN2CC(c3nc(C)cc(C)n3)C(=O)NC2=O)cc1
InChIInChI=1S/C18H20N4O3/c1-11-8-12(2)20-16(19-11)15-10-22(18(24)21-17(15)23)9-13-4-6-14(25-3)7-5-13/h4-8,15H,9-10H2,1-3H3,(H,21,23,24)
InChIKeyIPASODBAOQIEFT-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.94
Rot. Bonds4

About 5-(4,6-dimethylpyrimidin-2-yl)-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione

5-(4,6-dimethylpyrimidin-2-yl)-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione (PubChem CID 3455499) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-(4,6-dimethylpyrimidin-2-yl)-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-(4,6-dimethylpyrimidin-2-yl)-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione
PubChem CID3455499
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name5-(4,6-dimethylpyrimidin-2-yl)-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione
SMILESCOc1ccc(CN2CC(c3nc(C)cc(C)n3)C(=O)NC2=O)cc1
InChIInChI=1S/C18H20N4O3/c1-11-8-12(2)20-16(19-11)15-10-22(18(24)21-17(15)23)9-13-4-6-14(25-3)7-5-13/h4-8,15H,9-10H2,1-3H3,(H,21,23,24)
InChIKeyIPASODBAOQIEFT-UHFFFAOYSA-N
XLogP1.94
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4,6-dimethylpyrimidin-2-yl)-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

5-methoxy-10-[(4-methoxyphenyl)methyl]-4-methyl-10,13-diazatricyclo[6.4.1.02,7]trideca-2(7),3,5-trien-11-one
CID 102349263
(4S)-4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 30936507
(4R)-1-[(4-methoxyphenyl)methyl]-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
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1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711571
(3S)-3-[(1R)-1-hydroxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 54758410
1-[2-(4-methoxyphenyl)ethyl]-4-sulfanylpyrrolidin-2-one
CID 168708660
ethane;15-[(4-methoxyphenyl)methyl]-4,12-dimethyl-1,9,13,15,25-pentazatetracyclo[18.3.1.110,14.02,7]pentacosa-2(7),3,5,10(25),11,13-hexaen-8-one
CID 176981300
6-hydroxy-1-[(4-methoxyphenyl)methyl]-1,4-diazepan-2-one;hydrochloride
CID 122540096
1-[(4-methoxyphenyl)methyl]-2,6-dimethylpiperidin-4-one
CID 134307745
4-[(4-methoxyphenyl)methyl]-6,6-dimethyl-1,4-diazepan-5-one
CID 115100594
5-amino-1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-one
CID 129101346
5-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 5-(4,6-dimethylpyrimidin-2-yl)-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 5-(4,6-dimethylpyrimidin-2-yl)-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione (CID 3455499) is 5-(4,6-dimethylpyrimidin-2-yl)-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-(4,6-dimethylpyrimidin-2-yl)-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-(4,6-dimethylpyrimidin-2-yl)-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione is COc1ccc(CN2CC(c3nc(C)cc(C)n3)C(=O)NC2=O)cc1.
What is the InChIKey of 5-(4,6-dimethylpyrimidin-2-yl)-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione?
The InChIKey is IPASODBAOQIEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11-8-12(2)20-16(19-11)15-10-22(18(24)21-17(15)23)9-13-4-6-14(25-3)7-5-13/h4-8,15H,9-10H2,1-3H3,(H,21,23,24).
What are the key properties of 5-(4,6-dimethylpyrimidin-2-yl)-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione?
5-(4,6-dimethylpyrimidin-2-yl)-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione has a molecular weight of 340.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-dimethylpyrimidin-2-yl)-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 3455499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).