1-[(E)-[2,2-bis(hydroxymethyl)cyclopropylidene]methyl]-5-methylpyrimidine-2,4-dione

C11H14N2O4 — CID 5271343

IUPAC1-[(E)-[2,2-bis(hydroxymethyl)cyclopropylidene]methyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(/C=C2\CC2(CO)CO)c(=O)[nH]c1=O
InChIInChI=1S/C11H14N2O4/c1-7-3-13(10(17)12-9(7)16)4-8-2-11(8,5-14)6-15/h3-4,14-15H,2,5-6H2,1H3,(H,12,16,17)/b8-4+
InChIKeyCIYMTMDEMOEQHC-XBXARRHUSA-N
MW238.24 g/mol
LogP-0.94
Rot. Bonds3

About 1-[(E)-[2,2-bis(hydroxymethyl)cyclopropylidene]methyl]-5-methylpyrimidine-2,4-dione

1-[(E)-[2,2-bis(hydroxymethyl)cyclopropylidene]methyl]-5-methylpyrimidine-2,4-dione (PubChem CID 5271343) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 1-[(E)-[2,2-bis(hydroxymethyl)cyclopropylidene]methyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(E)-[2,2-bis(hydroxymethyl)cyclopropylidene]methyl]-5-methylpyrimidine-2,4-dione
PubChem CID5271343
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name1-[(E)-[2,2-bis(hydroxymethyl)cyclopropylidene]methyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(/C=C2\CC2(CO)CO)c(=O)[nH]c1=O
InChIInChI=1S/C11H14N2O4/c1-7-3-13(10(17)12-9(7)16)4-8-2-11(8,5-14)6-15/h3-4,14-15H,2,5-6H2,1H3,(H,12,16,17)/b8-4+
InChIKeyCIYMTMDEMOEQHC-XBXARRHUSA-N
XLogP-0.94
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-[2,2-bis(hydroxymethyl)cyclopropylidene]methyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(E)-[2,2-bis(hydroxymethyl)cyclopropylidene]methyl]-5-methylpyrimidine-2,4-dione (CID 5271343) is 1-[(E)-[2,2-bis(hydroxymethyl)cyclopropylidene]methyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(E)-[2,2-bis(hydroxymethyl)cyclopropylidene]methyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(E)-[2,2-bis(hydroxymethyl)cyclopropylidene]methyl]-5-methylpyrimidine-2,4-dione is Cc1cn(/C=C2\CC2(CO)CO)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(E)-[2,2-bis(hydroxymethyl)cyclopropylidene]methyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is CIYMTMDEMOEQHC-XBXARRHUSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-7-3-13(10(17)12-9(7)16)4-8-2-11(8,5-14)6-15/h3-4,14-15H,2,5-6H2,1H3,(H,12,16,17)/b8-4+.
What are the key properties of 1-[(E)-[2,2-bis(hydroxymethyl)cyclopropylidene]methyl]-5-methylpyrimidine-2,4-dione?
1-[(E)-[2,2-bis(hydroxymethyl)cyclopropylidene]methyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 238.24 g/mol, XLogP of -0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[2,2-bis(hydroxymethyl)cyclopropylidene]methyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 5271343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).