tert-butyl N-propyl-N-pyrimidin-2-ylcarbamate

C12H19N3O2 — CID 135085840

IUPACtert-butyl N-propyl-N-pyrimidin-2-ylcarbamate
SMILESCCCN(C(=O)OC(C)(C)C)c1ncccn1
InChIInChI=1S/C12H19N3O2/c1-5-9-15(10-13-7-6-8-14-10)11(16)17-12(2,3)4/h6-8H,5,9H2,1-4H3
InChIKeyATEVWTHXPQTBNI-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.63
Rot. Bonds3

About tert-butyl N-propyl-N-pyrimidin-2-ylcarbamate

tert-butyl N-propyl-N-pyrimidin-2-ylcarbamate (PubChem CID 135085840) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl N-propyl-N-pyrimidin-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-propyl-N-pyrimidin-2-ylcarbamate
PubChem CID135085840
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nametert-butyl N-propyl-N-pyrimidin-2-ylcarbamate
SMILESCCCN(C(=O)OC(C)(C)C)c1ncccn1
InChIInChI=1S/C12H19N3O2/c1-5-9-15(10-13-7-6-8-14-10)11(16)17-12(2,3)4/h6-8H,5,9H2,1-4H3
InChIKeyATEVWTHXPQTBNI-UHFFFAOYSA-N
XLogP2.63
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-propyl-N-pyrimidin-2-ylcarbamate?
The IUPAC name of tert-butyl N-propyl-N-pyrimidin-2-ylcarbamate (CID 135085840) is tert-butyl N-propyl-N-pyrimidin-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-propyl-N-pyrimidin-2-ylcarbamate?
The canonical SMILES for tert-butyl N-propyl-N-pyrimidin-2-ylcarbamate is CCCN(C(=O)OC(C)(C)C)c1ncccn1.
What is the InChIKey of tert-butyl N-propyl-N-pyrimidin-2-ylcarbamate?
The InChIKey is ATEVWTHXPQTBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-5-9-15(10-13-7-6-8-14-10)11(16)17-12(2,3)4/h6-8H,5,9H2,1-4H3.
What are the key properties of tert-butyl N-propyl-N-pyrimidin-2-ylcarbamate?
tert-butyl N-propyl-N-pyrimidin-2-ylcarbamate has a molecular weight of 237.30 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-propyl-N-pyrimidin-2-ylcarbamate is sourced from PubChem (CID 135085840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).