ethyl N-[2-[(2-tert-butylpyrimidin-5-yl)amino]-2-oxoethyl]-N-methylcarbamate

C14H22N4O3 — CID 71885327

IUPACethyl N-[2-[(2-tert-butylpyrimidin-5-yl)amino]-2-oxoethyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)CC(=O)Nc1cnc(C(C)(C)C)nc1
InChIInChI=1S/C14H22N4O3/c1-6-21-13(20)18(5)9-11(19)17-10-7-15-12(16-8-10)14(2,3)4/h7-8H,6,9H2,1-5H3,(H,17,19)
InChIKeyUDMOVZXDKGELPX-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.80
Rot. Bonds4

About ethyl N-[2-[(2-tert-butylpyrimidin-5-yl)amino]-2-oxoethyl]-N-methylcarbamate

ethyl N-[2-[(2-tert-butylpyrimidin-5-yl)amino]-2-oxoethyl]-N-methylcarbamate (PubChem CID 71885327) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is ethyl N-[2-[(2-tert-butylpyrimidin-5-yl)amino]-2-oxoethyl]-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-[2-[(2-tert-butylpyrimidin-5-yl)amino]-2-oxoethyl]-N-methylcarbamate
PubChem CID71885327
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Nameethyl N-[2-[(2-tert-butylpyrimidin-5-yl)amino]-2-oxoethyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)CC(=O)Nc1cnc(C(C)(C)C)nc1
InChIInChI=1S/C14H22N4O3/c1-6-21-13(20)18(5)9-11(19)17-10-7-15-12(16-8-10)14(2,3)4/h7-8H,6,9H2,1-5H3,(H,17,19)
InChIKeyUDMOVZXDKGELPX-UHFFFAOYSA-N
XLogP1.80
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[(2-tert-butylpyrimidin-5-yl)amino]-2-oxoethyl]-N-methylcarbamate?
The IUPAC name of ethyl N-[2-[(2-tert-butylpyrimidin-5-yl)amino]-2-oxoethyl]-N-methylcarbamate (CID 71885327) is ethyl N-[2-[(2-tert-butylpyrimidin-5-yl)amino]-2-oxoethyl]-N-methylcarbamate.
What is the SMILES notation for ethyl N-[2-[(2-tert-butylpyrimidin-5-yl)amino]-2-oxoethyl]-N-methylcarbamate?
The canonical SMILES for ethyl N-[2-[(2-tert-butylpyrimidin-5-yl)amino]-2-oxoethyl]-N-methylcarbamate is CCOC(=O)N(C)CC(=O)Nc1cnc(C(C)(C)C)nc1.
What is the InChIKey of ethyl N-[2-[(2-tert-butylpyrimidin-5-yl)amino]-2-oxoethyl]-N-methylcarbamate?
The InChIKey is UDMOVZXDKGELPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-6-21-13(20)18(5)9-11(19)17-10-7-15-12(16-8-10)14(2,3)4/h7-8H,6,9H2,1-5H3,(H,17,19).
What are the key properties of ethyl N-[2-[(2-tert-butylpyrimidin-5-yl)amino]-2-oxoethyl]-N-methylcarbamate?
ethyl N-[2-[(2-tert-butylpyrimidin-5-yl)amino]-2-oxoethyl]-N-methylcarbamate has a molecular weight of 294.36 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[(2-tert-butylpyrimidin-5-yl)amino]-2-oxoethyl]-N-methylcarbamate is sourced from PubChem (CID 71885327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).