tert-butyl N-ethyl-N-[2-(2-methyl-2-pyrimidin-2-ylhydrazinyl)ethyl]carbamate

C14H25N5O2 — CID 70848374

IUPACtert-butyl N-ethyl-N-[2-(2-methyl-2-pyrimidin-2-ylhydrazinyl)ethyl]carbamate
SMILESCCN(CCNN(C)c1ncccn1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25N5O2/c1-6-19(13(20)21-14(2,3)4)11-10-17-18(5)12-15-8-7-9-16-12/h7-9,17H,6,10-11H2,1-5H3
InChIKeyKXQRLDFERGWPOI-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.67
Rot. Bonds6

About tert-butyl N-ethyl-N-[2-(2-methyl-2-pyrimidin-2-ylhydrazinyl)ethyl]carbamate

tert-butyl N-ethyl-N-[2-(2-methyl-2-pyrimidin-2-ylhydrazinyl)ethyl]carbamate (PubChem CID 70848374) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[2-(2-methyl-2-pyrimidin-2-ylhydrazinyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[2-(2-methyl-2-pyrimidin-2-ylhydrazinyl)ethyl]carbamate
PubChem CID70848374
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Nametert-butyl N-ethyl-N-[2-(2-methyl-2-pyrimidin-2-ylhydrazinyl)ethyl]carbamate
SMILESCCN(CCNN(C)c1ncccn1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25N5O2/c1-6-19(13(20)21-14(2,3)4)11-10-17-18(5)12-15-8-7-9-16-12/h7-9,17H,6,10-11H2,1-5H3
InChIKeyKXQRLDFERGWPOI-UHFFFAOYSA-N
XLogP1.67
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[2-(2-methyl-2-pyrimidin-2-ylhydrazinyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[2-(2-methyl-2-pyrimidin-2-ylhydrazinyl)ethyl]carbamate (CID 70848374) is tert-butyl N-ethyl-N-[2-(2-methyl-2-pyrimidin-2-ylhydrazinyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[2-(2-methyl-2-pyrimidin-2-ylhydrazinyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[2-(2-methyl-2-pyrimidin-2-ylhydrazinyl)ethyl]carbamate is CCN(CCNN(C)c1ncccn1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[2-(2-methyl-2-pyrimidin-2-ylhydrazinyl)ethyl]carbamate?
The InChIKey is KXQRLDFERGWPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-6-19(13(20)21-14(2,3)4)11-10-17-18(5)12-15-8-7-9-16-12/h7-9,17H,6,10-11H2,1-5H3.
What are the key properties of tert-butyl N-ethyl-N-[2-(2-methyl-2-pyrimidin-2-ylhydrazinyl)ethyl]carbamate?
tert-butyl N-ethyl-N-[2-(2-methyl-2-pyrimidin-2-ylhydrazinyl)ethyl]carbamate has a molecular weight of 295.39 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[2-(2-methyl-2-pyrimidin-2-ylhydrazinyl)ethyl]carbamate is sourced from PubChem (CID 70848374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).