1-[(Z)-[2-(hydroxymethyl)cyclobutylidene]methyl]-5-methylpyrimidine-2,4-dione

C11H14N2O3 — CID 102145297

IUPAC1-[(Z)-[2-(hydroxymethyl)cyclobutylidene]methyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(/C=C2/CCC2CO)c(=O)[nH]c1=O
InChIInChI=1S/C11H14N2O3/c1-7-4-13(11(16)12-10(7)15)5-8-2-3-9(8)6-14/h4-5,9,14H,2-3,6H2,1H3,(H,12,15,16)/b8-5-
InChIKeyNWIAVFKPSHZRSE-YVMONPNESA-N
MW222.24 g/mol
LogP0.09
Rot. Bonds2

About 1-[(Z)-[2-(hydroxymethyl)cyclobutylidene]methyl]-5-methylpyrimidine-2,4-dione

1-[(Z)-[2-(hydroxymethyl)cyclobutylidene]methyl]-5-methylpyrimidine-2,4-dione (PubChem CID 102145297) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-[(Z)-[2-(hydroxymethyl)cyclobutylidene]methyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(Z)-[2-(hydroxymethyl)cyclobutylidene]methyl]-5-methylpyrimidine-2,4-dione
PubChem CID102145297
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1-[(Z)-[2-(hydroxymethyl)cyclobutylidene]methyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(/C=C2/CCC2CO)c(=O)[nH]c1=O
InChIInChI=1S/C11H14N2O3/c1-7-4-13(11(16)12-10(7)15)5-8-2-3-9(8)6-14/h4-5,9,14H,2-3,6H2,1H3,(H,12,15,16)/b8-5-
InChIKeyNWIAVFKPSHZRSE-YVMONPNESA-N
XLogP0.09
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2E)-2-(2-hydroxycyclobutylidene)ethyl]-5-methylpyrimidine-2,4-dione
CID 11264529
1-[(E)-[2-fluoro-2-(hydroxymethyl)cyclopropylidene]methyl]-5-methylpyrimidine-2,4-dione
CID 6536769
1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-(111C)methylpyrimidine-2,4-dione
CID 53348025
1-[(1S,2R,3R,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-5-methylpyrimidine-2,4-dione
CID 46186324
1-[5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;sulfanol
CID 177038919
5-methyl-1-(3-oxobut-1-enyl)pyrimidine-2,4-dione
CID 54009463
1-[(2R,5R)-2-(hydroxymethyl)-4-oxo-1,3-thiazolidin-5-yl]-5-methylpyrimidine-2,4-dione
CID 10061010
1-[3-amino-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 14097531
1-[(1R,3S,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 14097532
1-[(Z,3S)-4-hydroxy-3-methoxybut-1-enyl]-5-methylpyrimidine-2,4-dione
CID 89429421
5-methyl-1-[(E)-pent-1-enyl]pyrimidine-2,4-dione
CID 11344568
sodium bis[(Z)-2-(hydroxymethyl)-3-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enyl] phosphate
CID 23681372

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-[2-(hydroxymethyl)cyclobutylidene]methyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(Z)-[2-(hydroxymethyl)cyclobutylidene]methyl]-5-methylpyrimidine-2,4-dione (CID 102145297) is 1-[(Z)-[2-(hydroxymethyl)cyclobutylidene]methyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(Z)-[2-(hydroxymethyl)cyclobutylidene]methyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(Z)-[2-(hydroxymethyl)cyclobutylidene]methyl]-5-methylpyrimidine-2,4-dione is Cc1cn(/C=C2/CCC2CO)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(Z)-[2-(hydroxymethyl)cyclobutylidene]methyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is NWIAVFKPSHZRSE-YVMONPNESA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-4-13(11(16)12-10(7)15)5-8-2-3-9(8)6-14/h4-5,9,14H,2-3,6H2,1H3,(H,12,15,16)/b8-5-.
What are the key properties of 1-[(Z)-[2-(hydroxymethyl)cyclobutylidene]methyl]-5-methylpyrimidine-2,4-dione?
1-[(Z)-[2-(hydroxymethyl)cyclobutylidene]methyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 222.24 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-[2-(hydroxymethyl)cyclobutylidene]methyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 102145297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).