[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-2-yl] carbamate

C11H15N3O5 — CID 175013466

IUPAC[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-2-yl] carbamate
SMILESCC1(C)OC[C@@H](COc2ccnc(OC(N)=O)n2)O1
InChIInChI=1S/C11H15N3O5/c1-11(2)17-6-7(19-11)5-16-8-3-4-13-10(14-8)18-9(12)15/h3-4,7H,5-6H2,1-2H3,(H2,12,15)/t7-/m1/s1
InChIKeyVEPFAYWHBRASLC-SSDOTTSWSA-N
MW269.26 g/mol
LogP0.46
Rot. Bonds4

About [4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-2-yl] carbamate

[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-2-yl] carbamate (PubChem CID 175013466) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is [4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-2-yl] carbamate.

Molecular Properties

Compound Name[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-2-yl] carbamate
PubChem CID175013466
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-2-yl] carbamate
SMILESCC1(C)OC[C@@H](COc2ccnc(OC(N)=O)n2)O1
InChIInChI=1S/C11H15N3O5/c1-11(2)17-6-7(19-11)5-16-8-3-4-13-10(14-8)18-9(12)15/h3-4,7H,5-6H2,1-2H3,(H2,12,15)/t7-/m1/s1
InChIKeyVEPFAYWHBRASLC-SSDOTTSWSA-N
XLogP0.46
TPSA105.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-2-yl] carbamate?
The IUPAC name of [4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-2-yl] carbamate (CID 175013466) is [4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-2-yl] carbamate.
What is the SMILES notation for [4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-2-yl] carbamate?
The canonical SMILES for [4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-2-yl] carbamate is CC1(C)OC[C@@H](COc2ccnc(OC(N)=O)n2)O1.
What is the InChIKey of [4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-2-yl] carbamate?
The InChIKey is VEPFAYWHBRASLC-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-11(2)17-6-7(19-11)5-16-8-3-4-13-10(14-8)18-9(12)15/h3-4,7H,5-6H2,1-2H3,(H2,12,15)/t7-/m1/s1.
What are the key properties of [4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-2-yl] carbamate?
[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-2-yl] carbamate has a molecular weight of 269.26 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-2-yl] carbamate is sourced from PubChem (CID 175013466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).