2H-pyrimidin-1-yl carbamate

C5H7N3O2 — CID 19966759

IUPAC2H-pyrimidin-1-yl carbamate
SMILESNC(=O)ON1C=CC=NC1
InChIInChI=1S/C5H7N3O2/c6-5(9)10-8-3-1-2-7-4-8/h1-3H,4H2,(H2,6,9)
InChIKeyPSWPLWFRJFMCAX-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.15
Rot. Bonds1

About 2H-pyrimidin-1-yl carbamate

2H-pyrimidin-1-yl carbamate (PubChem CID 19966759) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 2H-pyrimidin-1-yl carbamate.

Molecular Properties

Compound Name2H-pyrimidin-1-yl carbamate
PubChem CID19966759
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name2H-pyrimidin-1-yl carbamate
SMILESNC(=O)ON1C=CC=NC1
InChIInChI=1S/C5H7N3O2/c6-5(9)10-8-3-1-2-7-4-8/h1-3H,4H2,(H2,6,9)
InChIKeyPSWPLWFRJFMCAX-UHFFFAOYSA-N
XLogP-0.15
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2H-pyrimidin-1-yl carbamate?
The IUPAC name of 2H-pyrimidin-1-yl carbamate (CID 19966759) is 2H-pyrimidin-1-yl carbamate.
What is the SMILES notation for 2H-pyrimidin-1-yl carbamate?
The canonical SMILES for 2H-pyrimidin-1-yl carbamate is NC(=O)ON1C=CC=NC1.
What is the InChIKey of 2H-pyrimidin-1-yl carbamate?
The InChIKey is PSWPLWFRJFMCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c6-5(9)10-8-3-1-2-7-4-8/h1-3H,4H2,(H2,6,9).
What are the key properties of 2H-pyrimidin-1-yl carbamate?
2H-pyrimidin-1-yl carbamate has a molecular weight of 141.13 g/mol, XLogP of -0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrimidin-1-yl carbamate is sourced from PubChem (CID 19966759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).