1,4-bis(hydroxymethyl)pyrimidin-2-one

C6H8N2O3 — CID 118366610

IUPAC1,4-bis(hydroxymethyl)pyrimidin-2-one
SMILESO=c1nc(CO)ccn1CO
InChIInChI=1S/C6H8N2O3/c9-3-5-1-2-8(4-10)6(11)7-5/h1-2,9-10H,3-4H2
InChIKeyLPHMNAXZGQLAKO-UHFFFAOYSA-N
MW156.14 g/mol
LogP-1.31
Rot. Bonds2

About 1,4-bis(hydroxymethyl)pyrimidin-2-one

1,4-bis(hydroxymethyl)pyrimidin-2-one (PubChem CID 118366610) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 1,4-bis(hydroxymethyl)pyrimidin-2-one.

Molecular Properties

Compound Name1,4-bis(hydroxymethyl)pyrimidin-2-one
PubChem CID118366610
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name1,4-bis(hydroxymethyl)pyrimidin-2-one
SMILESO=c1nc(CO)ccn1CO
InChIInChI=1S/C6H8N2O3/c9-3-5-1-2-8(4-10)6(11)7-5/h1-2,9-10H,3-4H2
InChIKeyLPHMNAXZGQLAKO-UHFFFAOYSA-N
XLogP-1.31
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-1.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(hydroxymethyl)pyrimidin-2-one?
The IUPAC name of 1,4-bis(hydroxymethyl)pyrimidin-2-one (CID 118366610) is 1,4-bis(hydroxymethyl)pyrimidin-2-one.
What is the SMILES notation for 1,4-bis(hydroxymethyl)pyrimidin-2-one?
The canonical SMILES for 1,4-bis(hydroxymethyl)pyrimidin-2-one is O=c1nc(CO)ccn1CO.
What is the InChIKey of 1,4-bis(hydroxymethyl)pyrimidin-2-one?
The InChIKey is LPHMNAXZGQLAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c9-3-5-1-2-8(4-10)6(11)7-5/h1-2,9-10H,3-4H2.
What are the key properties of 1,4-bis(hydroxymethyl)pyrimidin-2-one?
1,4-bis(hydroxymethyl)pyrimidin-2-one has a molecular weight of 156.14 g/mol, XLogP of -1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(hydroxymethyl)pyrimidin-2-one is sourced from PubChem (CID 118366610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).