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

C17H19N3O5 — CID 121356375

IUPACphenyl N-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-2-yl]carbamate
SMILESCC1(C)OC[C@@H](COc2ccnc(NC(=O)Oc3ccccc3)n2)O1
InChIInChI=1S/C17H19N3O5/c1-17(2)23-11-13(25-17)10-22-14-8-9-18-15(19-14)20-16(21)24-12-6-4-3-5-7-12/h3-9,13H,10-11H2,1-2H3,(H,18,19,20,21)/t13-/m1/s1
InChIKeyNIRIQRCZWKBMNQ-CYBMUJFWSA-N
MW345.36 g/mol
LogP2.62
Rot. Bonds5

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

phenyl N-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-2-yl]carbamate (PubChem CID 121356375) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is phenyl N-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-2-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-2-yl]carbamate
PubChem CID121356375
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Namephenyl N-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-2-yl]carbamate
SMILESCC1(C)OC[C@@H](COc2ccnc(NC(=O)Oc3ccccc3)n2)O1
InChIInChI=1S/C17H19N3O5/c1-17(2)23-11-13(25-17)10-22-14-8-9-18-15(19-14)20-16(21)24-12-6-4-3-5-7-12/h3-9,13H,10-11H2,1-2H3,(H,18,19,20,21)/t13-/m1/s1
InChIKeyNIRIQRCZWKBMNQ-CYBMUJFWSA-N
XLogP2.62
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-2-yl]carbamate?
The IUPAC name of phenyl N-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-2-yl]carbamate (CID 121356375) is phenyl N-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-2-yl]carbamate.
What is the SMILES notation for phenyl N-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-2-yl]carbamate?
The canonical SMILES for phenyl N-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-2-yl]carbamate is CC1(C)OC[C@@H](COc2ccnc(NC(=O)Oc3ccccc3)n2)O1.
What is the InChIKey of phenyl N-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-2-yl]carbamate?
The InChIKey is NIRIQRCZWKBMNQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-17(2)23-11-13(25-17)10-22-14-8-9-18-15(19-14)20-16(21)24-12-6-4-3-5-7-12/h3-9,13H,10-11H2,1-2H3,(H,18,19,20,21)/t13-/m1/s1.
What are the key properties of phenyl N-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-2-yl]carbamate?
phenyl N-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-2-yl]carbamate has a molecular weight of 345.36 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyrimidin-2-yl]carbamate is sourced from PubChem (CID 121356375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).