ethyl N-[4,6-di(propan-2-yloxy)pyrimidin-5-yl]carbamate

C13H21N3O4 — CID 54349106

IUPACethyl N-[4,6-di(propan-2-yloxy)pyrimidin-5-yl]carbamate
SMILESCCOC(=O)Nc1c(OC(C)C)ncnc1OC(C)C
InChIInChI=1S/C13H21N3O4/c1-6-18-13(17)16-10-11(19-8(2)3)14-7-15-12(10)20-9(4)5/h7-9H,6H2,1-5H3,(H,16,17)
InChIKeyUEKUWXQTYGREOS-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.62
Rot. Bonds6

About ethyl N-[4,6-di(propan-2-yloxy)pyrimidin-5-yl]carbamate

ethyl N-[4,6-di(propan-2-yloxy)pyrimidin-5-yl]carbamate (PubChem CID 54349106) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is ethyl N-[4,6-di(propan-2-yloxy)pyrimidin-5-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[4,6-di(propan-2-yloxy)pyrimidin-5-yl]carbamate
PubChem CID54349106
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Nameethyl N-[4,6-di(propan-2-yloxy)pyrimidin-5-yl]carbamate
SMILESCCOC(=O)Nc1c(OC(C)C)ncnc1OC(C)C
InChIInChI=1S/C13H21N3O4/c1-6-18-13(17)16-10-11(19-8(2)3)14-7-15-12(10)20-9(4)5/h7-9H,6H2,1-5H3,(H,16,17)
InChIKeyUEKUWXQTYGREOS-UHFFFAOYSA-N
XLogP2.62
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4,6-di(propan-2-yloxy)pyrimidin-5-yl]carbamate?
The IUPAC name of ethyl N-[4,6-di(propan-2-yloxy)pyrimidin-5-yl]carbamate (CID 54349106) is ethyl N-[4,6-di(propan-2-yloxy)pyrimidin-5-yl]carbamate.
What is the SMILES notation for ethyl N-[4,6-di(propan-2-yloxy)pyrimidin-5-yl]carbamate?
The canonical SMILES for ethyl N-[4,6-di(propan-2-yloxy)pyrimidin-5-yl]carbamate is CCOC(=O)Nc1c(OC(C)C)ncnc1OC(C)C.
What is the InChIKey of ethyl N-[4,6-di(propan-2-yloxy)pyrimidin-5-yl]carbamate?
The InChIKey is UEKUWXQTYGREOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-6-18-13(17)16-10-11(19-8(2)3)14-7-15-12(10)20-9(4)5/h7-9H,6H2,1-5H3,(H,16,17).
What are the key properties of ethyl N-[4,6-di(propan-2-yloxy)pyrimidin-5-yl]carbamate?
ethyl N-[4,6-di(propan-2-yloxy)pyrimidin-5-yl]carbamate has a molecular weight of 283.33 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4,6-di(propan-2-yloxy)pyrimidin-5-yl]carbamate is sourced from PubChem (CID 54349106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).