4-ethoxy-1-[[4-[(4-ethoxy-5-methyl-2-oxopyrimidin-1-yl)methyl]phenyl]methyl]-5-methylpyrimidin-2-one

C22H26N4O4 — CID 156620366

IUPAC4-ethoxy-1-[[4-[(4-ethoxy-5-methyl-2-oxopyrimidin-1-yl)methyl]phenyl]methyl]-5-methylpyrimidin-2-one
SMILESCCOc1nc(=O)n(Cc2ccc(Cn3cc(C)c(OCC)nc3=O)cc2)cc1C
InChIInChI=1S/C22H26N4O4/c1-5-29-19-15(3)11-25(21(27)23-19)13-17-7-9-18(10-8-17)14-26-12-16(4)20(30-6-2)24-22(26)28/h7-12H,5-6,13-14H2,1-4H3
InChIKeyDFFNAQKQQOEMTE-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.31
Rot. Bonds8

About 4-ethoxy-1-[[4-[(4-ethoxy-5-methyl-2-oxopyrimidin-1-yl)methyl]phenyl]methyl]-5-methylpyrimidin-2-one

4-ethoxy-1-[[4-[(4-ethoxy-5-methyl-2-oxopyrimidin-1-yl)methyl]phenyl]methyl]-5-methylpyrimidin-2-one (PubChem CID 156620366) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 4-ethoxy-1-[[4-[(4-ethoxy-5-methyl-2-oxopyrimidin-1-yl)methyl]phenyl]methyl]-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name4-ethoxy-1-[[4-[(4-ethoxy-5-methyl-2-oxopyrimidin-1-yl)methyl]phenyl]methyl]-5-methylpyrimidin-2-one
PubChem CID156620366
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name4-ethoxy-1-[[4-[(4-ethoxy-5-methyl-2-oxopyrimidin-1-yl)methyl]phenyl]methyl]-5-methylpyrimidin-2-one
SMILESCCOc1nc(=O)n(Cc2ccc(Cn3cc(C)c(OCC)nc3=O)cc2)cc1C
InChIInChI=1S/C22H26N4O4/c1-5-29-19-15(3)11-25(21(27)23-19)13-17-7-9-18(10-8-17)14-26-12-16(4)20(30-6-2)24-22(26)28/h7-12H,5-6,13-14H2,1-4H3
InChIKeyDFFNAQKQQOEMTE-UHFFFAOYSA-N
XLogP2.31
TPSA88.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-ethoxy-1-[[4-[(4-ethoxy-5-methyl-2-oxopyrimidin-1-yl)methyl]phenyl]methyl]-5-methylpyrimidin-2-one with MolForge

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Related Compounds

1-benzyl-4-ethoxy-5-methylpyrimidin-2(1H)-one
CID 145998114
4-Ethoxy-5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-one
CID 150662837
4-Ethoxy-5-methyl-1-(naphthalen-2-ylmethyl)pyrimidin-2-one
CID 152640328
6-Decyl-3-(p-tolylmethyl)furo[2,3-d]pyrimidin-2-one
CID 5273873
6-Benzyl-4-ethoxy-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-one
CID 134914509
4-Ethoxy-5-methyl-1-(naphthalen-1-ylmethyl)pyrimidin-2(1h)-one
CID 156620341
1,1'-(1,2-Phenylenebis(methylene))bis(4-ethoxy-5-methylpyrimidin-2(1h)-one)
CID 156620367
1,1'-(1,3-Phenylenebis(methylene))bis(4-ethoxy-5-methylpyrimidin-2(1h)-one)
CID 156620368
1-[(2,6-Difluorophenyl)methyl]-4-methoxypyrimidin-2-one
CID 15867827
3-Benzyl-6-butylfuro[2,3-d]pyrimidin-2-one
CID 9814330
1-Benzyl-4-prop-2-enoxypyrimidin-2-one
CID 69602726
3-Benzylfuro[2,3-d]pyrimidin-2-one;butane;propane
CID 142177938

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-[[4-[(4-ethoxy-5-methyl-2-oxopyrimidin-1-yl)methyl]phenyl]methyl]-5-methylpyrimidin-2-one?
The IUPAC name of 4-ethoxy-1-[[4-[(4-ethoxy-5-methyl-2-oxopyrimidin-1-yl)methyl]phenyl]methyl]-5-methylpyrimidin-2-one (CID 156620366) is 4-ethoxy-1-[[4-[(4-ethoxy-5-methyl-2-oxopyrimidin-1-yl)methyl]phenyl]methyl]-5-methylpyrimidin-2-one.
What is the SMILES notation for 4-ethoxy-1-[[4-[(4-ethoxy-5-methyl-2-oxopyrimidin-1-yl)methyl]phenyl]methyl]-5-methylpyrimidin-2-one?
The canonical SMILES for 4-ethoxy-1-[[4-[(4-ethoxy-5-methyl-2-oxopyrimidin-1-yl)methyl]phenyl]methyl]-5-methylpyrimidin-2-one is CCOc1nc(=O)n(Cc2ccc(Cn3cc(C)c(OCC)nc3=O)cc2)cc1C.
What is the InChIKey of 4-ethoxy-1-[[4-[(4-ethoxy-5-methyl-2-oxopyrimidin-1-yl)methyl]phenyl]methyl]-5-methylpyrimidin-2-one?
The InChIKey is DFFNAQKQQOEMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-5-29-19-15(3)11-25(21(27)23-19)13-17-7-9-18(10-8-17)14-26-12-16(4)20(30-6-2)24-22(26)28/h7-12H,5-6,13-14H2,1-4H3.
What are the key properties of 4-ethoxy-1-[[4-[(4-ethoxy-5-methyl-2-oxopyrimidin-1-yl)methyl]phenyl]methyl]-5-methylpyrimidin-2-one?
4-ethoxy-1-[[4-[(4-ethoxy-5-methyl-2-oxopyrimidin-1-yl)methyl]phenyl]methyl]-5-methylpyrimidin-2-one has a molecular weight of 410.47 g/mol, XLogP of 2.31, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-[[4-[(4-ethoxy-5-methyl-2-oxopyrimidin-1-yl)methyl]phenyl]methyl]-5-methylpyrimidin-2-one is sourced from PubChem (CID 156620366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).