2-pyrimidin-5-ylethyl carbamate

C7H9N3O2 — CID 69192212

IUPAC2-pyrimidin-5-ylethyl carbamate
SMILESNC(=O)OCCc1cncnc1
InChIInChI=1S/C7H9N3O2/c8-7(11)12-2-1-6-3-9-5-10-4-6/h3-5H,1-2H2,(H2,8,11)
InChIKeyFZRRLMWNEKLHFK-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.11
Rot. Bonds3

About 2-pyrimidin-5-ylethyl carbamate

2-pyrimidin-5-ylethyl carbamate (PubChem CID 69192212) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 2-pyrimidin-5-ylethyl carbamate.

Molecular Properties

Compound Name2-pyrimidin-5-ylethyl carbamate
PubChem CID69192212
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name2-pyrimidin-5-ylethyl carbamate
SMILESNC(=O)OCCc1cncnc1
InChIInChI=1S/C7H9N3O2/c8-7(11)12-2-1-6-3-9-5-10-4-6/h3-5H,1-2H2,(H2,8,11)
InChIKeyFZRRLMWNEKLHFK-UHFFFAOYSA-N
XLogP0.11
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-5-ylethyl carbamate?
The IUPAC name of 2-pyrimidin-5-ylethyl carbamate (CID 69192212) is 2-pyrimidin-5-ylethyl carbamate.
What is the SMILES notation for 2-pyrimidin-5-ylethyl carbamate?
The canonical SMILES for 2-pyrimidin-5-ylethyl carbamate is NC(=O)OCCc1cncnc1.
What is the InChIKey of 2-pyrimidin-5-ylethyl carbamate?
The InChIKey is FZRRLMWNEKLHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c8-7(11)12-2-1-6-3-9-5-10-4-6/h3-5H,1-2H2,(H2,8,11).
What are the key properties of 2-pyrimidin-5-ylethyl carbamate?
2-pyrimidin-5-ylethyl carbamate has a molecular weight of 167.17 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-5-ylethyl carbamate is sourced from PubChem (CID 69192212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).