[6-(methoxymethyl)pyrimidin-4-yl]carbamic acid

C7H9N3O3 — CID 67550093

IUPAC[6-(methoxymethyl)pyrimidin-4-yl]carbamic acid
SMILESCOCc1cc(NC(=O)O)ncn1
InChIInChI=1S/C7H9N3O3/c1-13-3-5-2-6(9-4-8-5)10-7(11)12/h2,4H,3H2,1H3,(H,11,12)(H,8,9,10)
InChIKeyUJESKBBLTVOWSF-UHFFFAOYSA-N
MW183.17 g/mol
LogP0.71
Rot. Bonds3

About [6-(methoxymethyl)pyrimidin-4-yl]carbamic acid

[6-(methoxymethyl)pyrimidin-4-yl]carbamic acid (PubChem CID 67550093) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is [6-(methoxymethyl)pyrimidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[6-(methoxymethyl)pyrimidin-4-yl]carbamic acid
PubChem CID67550093
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name[6-(methoxymethyl)pyrimidin-4-yl]carbamic acid
SMILESCOCc1cc(NC(=O)O)ncn1
InChIInChI=1S/C7H9N3O3/c1-13-3-5-2-6(9-4-8-5)10-7(11)12/h2,4H,3H2,1H3,(H,11,12)(H,8,9,10)
InChIKeyUJESKBBLTVOWSF-UHFFFAOYSA-N
XLogP0.71
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(methoxymethyl)pyrimidin-4-yl]carbamic acid?
The IUPAC name of [6-(methoxymethyl)pyrimidin-4-yl]carbamic acid (CID 67550093) is [6-(methoxymethyl)pyrimidin-4-yl]carbamic acid.
What is the SMILES notation for [6-(methoxymethyl)pyrimidin-4-yl]carbamic acid?
The canonical SMILES for [6-(methoxymethyl)pyrimidin-4-yl]carbamic acid is COCc1cc(NC(=O)O)ncn1.
What is the InChIKey of [6-(methoxymethyl)pyrimidin-4-yl]carbamic acid?
The InChIKey is UJESKBBLTVOWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-13-3-5-2-6(9-4-8-5)10-7(11)12/h2,4H,3H2,1H3,(H,11,12)(H,8,9,10).
What are the key properties of [6-(methoxymethyl)pyrimidin-4-yl]carbamic acid?
[6-(methoxymethyl)pyrimidin-4-yl]carbamic acid has a molecular weight of 183.17 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(methoxymethyl)pyrimidin-4-yl]carbamic acid is sourced from PubChem (CID 67550093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).