tert-butyl(pyrimidin-5-yl)carbamic acid

C9H13N3O2 — CID 155026141

IUPACtert-butyl(pyrimidin-5-yl)carbamic acid
SMILESCC(C)(C)N(C(=O)O)c1cncnc1
InChIInChI=1S/C9H13N3O2/c1-9(2,3)12(8(13)14)7-4-10-6-11-5-7/h4-6H,1-3H3,(H,13,14)
InChIKeyNODCPSIMCSKJGL-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.76
Rot. Bonds1

About tert-butyl(pyrimidin-5-yl)carbamic acid

tert-butyl(pyrimidin-5-yl)carbamic acid (PubChem CID 155026141) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is tert-butyl(pyrimidin-5-yl)carbamic acid.

Molecular Properties

Compound Nametert-butyl(pyrimidin-5-yl)carbamic acid
PubChem CID155026141
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Nametert-butyl(pyrimidin-5-yl)carbamic acid
SMILESCC(C)(C)N(C(=O)O)c1cncnc1
InChIInChI=1S/C9H13N3O2/c1-9(2,3)12(8(13)14)7-4-10-6-11-5-7/h4-6H,1-3H3,(H,13,14)
InChIKeyNODCPSIMCSKJGL-UHFFFAOYSA-N
XLogP1.76
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl(pyrimidin-5-yl)carbamic acid?
The IUPAC name of tert-butyl(pyrimidin-5-yl)carbamic acid (CID 155026141) is tert-butyl(pyrimidin-5-yl)carbamic acid.
What is the SMILES notation for tert-butyl(pyrimidin-5-yl)carbamic acid?
The canonical SMILES for tert-butyl(pyrimidin-5-yl)carbamic acid is CC(C)(C)N(C(=O)O)c1cncnc1.
What is the InChIKey of tert-butyl(pyrimidin-5-yl)carbamic acid?
The InChIKey is NODCPSIMCSKJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-9(2,3)12(8(13)14)7-4-10-6-11-5-7/h4-6H,1-3H3,(H,13,14).
What are the key properties of tert-butyl(pyrimidin-5-yl)carbamic acid?
tert-butyl(pyrimidin-5-yl)carbamic acid has a molecular weight of 195.22 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(pyrimidin-5-yl)carbamic acid is sourced from PubChem (CID 155026141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).