1-pyrimidin-5-ylethyl carbamate

C7H9N3O2 — CID 69192211

IUPAC1-pyrimidin-5-ylethyl carbamate
SMILESCC(OC(N)=O)c1cncnc1
InChIInChI=1S/C7H9N3O2/c1-5(12-7(8)11)6-2-9-4-10-3-6/h2-5H,1H3,(H2,8,11)
InChIKeyRSGXZSMRTSZNMV-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.63
Rot. Bonds2

About 1-pyrimidin-5-ylethyl carbamate

1-pyrimidin-5-ylethyl carbamate (PubChem CID 69192211) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 1-pyrimidin-5-ylethyl carbamate.

Molecular Properties

Compound Name1-pyrimidin-5-ylethyl carbamate
PubChem CID69192211
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name1-pyrimidin-5-ylethyl carbamate
SMILESCC(OC(N)=O)c1cncnc1
InChIInChI=1S/C7H9N3O2/c1-5(12-7(8)11)6-2-9-4-10-3-6/h2-5H,1H3,(H2,8,11)
InChIKeyRSGXZSMRTSZNMV-UHFFFAOYSA-N
XLogP0.63
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-5-ylethyl carbamate?
The IUPAC name of 1-pyrimidin-5-ylethyl carbamate (CID 69192211) is 1-pyrimidin-5-ylethyl carbamate.
What is the SMILES notation for 1-pyrimidin-5-ylethyl carbamate?
The canonical SMILES for 1-pyrimidin-5-ylethyl carbamate is CC(OC(N)=O)c1cncnc1.
What is the InChIKey of 1-pyrimidin-5-ylethyl carbamate?
The InChIKey is RSGXZSMRTSZNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-5(12-7(8)11)6-2-9-4-10-3-6/h2-5H,1H3,(H2,8,11).
What are the key properties of 1-pyrimidin-5-ylethyl carbamate?
1-pyrimidin-5-ylethyl carbamate has a molecular weight of 167.17 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-5-ylethyl carbamate is sourced from PubChem (CID 69192211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).