(1-hydroxy-1-pyrimidin-5-ylpropan-2-yl) carbamate

C8H11N3O3 — CID 118368482

IUPAC(1-hydroxy-1-pyrimidin-5-ylpropan-2-yl) carbamate
SMILESCC(OC(N)=O)C(O)c1cncnc1
InChIInChI=1S/C8H11N3O3/c1-5(14-8(9)13)7(12)6-2-10-4-11-3-6/h2-5,7,12H,1H3,(H2,9,13)
InChIKeyILAJQNRXZLYAMC-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.01
Rot. Bonds3

About (1-hydroxy-1-pyrimidin-5-ylpropan-2-yl) carbamate

(1-hydroxy-1-pyrimidin-5-ylpropan-2-yl) carbamate (PubChem CID 118368482) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is (1-hydroxy-1-pyrimidin-5-ylpropan-2-yl) carbamate.

Molecular Properties

Compound Name(1-hydroxy-1-pyrimidin-5-ylpropan-2-yl) carbamate
PubChem CID118368482
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name(1-hydroxy-1-pyrimidin-5-ylpropan-2-yl) carbamate
SMILESCC(OC(N)=O)C(O)c1cncnc1
InChIInChI=1S/C8H11N3O3/c1-5(14-8(9)13)7(12)6-2-10-4-11-3-6/h2-5,7,12H,1H3,(H2,9,13)
InChIKeyILAJQNRXZLYAMC-UHFFFAOYSA-N
XLogP-0.01
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-1-pyrimidin-5-ylpropan-2-yl) carbamate?
The IUPAC name of (1-hydroxy-1-pyrimidin-5-ylpropan-2-yl) carbamate (CID 118368482) is (1-hydroxy-1-pyrimidin-5-ylpropan-2-yl) carbamate.
What is the SMILES notation for (1-hydroxy-1-pyrimidin-5-ylpropan-2-yl) carbamate?
The canonical SMILES for (1-hydroxy-1-pyrimidin-5-ylpropan-2-yl) carbamate is CC(OC(N)=O)C(O)c1cncnc1.
What is the InChIKey of (1-hydroxy-1-pyrimidin-5-ylpropan-2-yl) carbamate?
The InChIKey is ILAJQNRXZLYAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-5(14-8(9)13)7(12)6-2-10-4-11-3-6/h2-5,7,12H,1H3,(H2,9,13).
What are the key properties of (1-hydroxy-1-pyrimidin-5-ylpropan-2-yl) carbamate?
(1-hydroxy-1-pyrimidin-5-ylpropan-2-yl) carbamate has a molecular weight of 197.19 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-1-pyrimidin-5-ylpropan-2-yl) carbamate is sourced from PubChem (CID 118368482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).