tert-butyl N-ethyl-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]carbamate

C13H26N4O2 — CID 110935245

IUPACtert-butyl N-ethyl-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]carbamate
SMILESCCN(CCNC1=NCCCN1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H26N4O2/c1-5-17(12(18)19-13(2,3)4)10-9-16-11-14-7-6-8-15-11/h5-10H2,1-4H3,(H2,14,15,16)
InChIKeyOISNSQNPUGMLHY-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.18
Rot. Bonds4

About tert-butyl N-ethyl-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]carbamate

tert-butyl N-ethyl-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]carbamate (PubChem CID 110935245) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]carbamate
PubChem CID110935245
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Nametert-butyl N-ethyl-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]carbamate
SMILESCCN(CCNC1=NCCCN1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H26N4O2/c1-5-17(12(18)19-13(2,3)4)10-9-16-11-14-7-6-8-15-11/h5-10H2,1-4H3,(H2,14,15,16)
InChIKeyOISNSQNPUGMLHY-UHFFFAOYSA-N
XLogP1.18
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]carbamate (CID 110935245) is tert-butyl N-ethyl-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]carbamate is CCN(CCNC1=NCCCN1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]carbamate?
The InChIKey is OISNSQNPUGMLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-5-17(12(18)19-13(2,3)4)10-9-16-11-14-7-6-8-15-11/h5-10H2,1-4H3,(H2,14,15,16).
What are the key properties of tert-butyl N-ethyl-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]carbamate?
tert-butyl N-ethyl-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]carbamate has a molecular weight of 270.38 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]carbamate is sourced from PubChem (CID 110935245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).