propan-2-yl N-[2-[(2R)-2-hydroxypropoxy]pyrimidin-5-yl]carbamate

C11H17N3O4 — CID 145443905

IUPACpropan-2-yl N-[2-[(2R)-2-hydroxypropoxy]pyrimidin-5-yl]carbamate
SMILESCC(C)OC(=O)Nc1cnc(OC[C@@H](C)O)nc1
InChIInChI=1S/C11H17N3O4/c1-7(2)18-11(16)14-9-4-12-10(13-5-9)17-6-8(3)15/h4-5,7-8,15H,6H2,1-3H3,(H,14,16)/t8-/m1/s1
InChIKeyIFBBJXNRBCKPLF-MRVPVSSYSA-N
MW255.27 g/mol
LogP1.19
Rot. Bonds5

About propan-2-yl N-[2-[(2R)-2-hydroxypropoxy]pyrimidin-5-yl]carbamate

propan-2-yl N-[2-[(2R)-2-hydroxypropoxy]pyrimidin-5-yl]carbamate (PubChem CID 145443905) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is propan-2-yl N-[2-[(2R)-2-hydroxypropoxy]pyrimidin-5-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[2-[(2R)-2-hydroxypropoxy]pyrimidin-5-yl]carbamate
PubChem CID145443905
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Namepropan-2-yl N-[2-[(2R)-2-hydroxypropoxy]pyrimidin-5-yl]carbamate
SMILESCC(C)OC(=O)Nc1cnc(OC[C@@H](C)O)nc1
InChIInChI=1S/C11H17N3O4/c1-7(2)18-11(16)14-9-4-12-10(13-5-9)17-6-8(3)15/h4-5,7-8,15H,6H2,1-3H3,(H,14,16)/t8-/m1/s1
InChIKeyIFBBJXNRBCKPLF-MRVPVSSYSA-N
XLogP1.19
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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propan-2-yl N-[3-methyl-5-(propan-2-yloxycarbonylamino)phenyl]carbamate
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propan-2-yl N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]carbamate
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N-(2-ethoxypyrimidin-5-yl)-4-methylbenzamide
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propan-2-yl N-(2-methoxyphenyl)carbamate
CID 5047637
4-(propan-2-yloxycarbonylamino)pyridine-3-carboxylic acid
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propan-2-yl N-(3-propan-2-ylphenyl)carbamate
CID 15649383
[(2R,3S)-3-[[2-(2-ethoxy-7-methylquinoxalin-5-yl)-5-fluoro-1,3-benzothiazol-6-yl]oxy]butan-2-yl] N-[2-[(2R)-2-hydroxypropoxy]pyrimidin-5-yl]carbamate
CID 139522779
butan-2-yl N-[6-(2-hydroxyethyl)-3-pyridinyl]carbamate
CID 160970410
[(2R,3S)-3-[[2-(6-chloro-3-methoxyquinolin-8-yl)-5-fluoro-1,3-benzothiazol-6-yl]oxy]butan-2-yl] N-[2-[(2R)-2-hydroxypropoxy]pyrimidin-5-yl]carbamate
CID 134181567

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[2-[(2R)-2-hydroxypropoxy]pyrimidin-5-yl]carbamate?
The IUPAC name of propan-2-yl N-[2-[(2R)-2-hydroxypropoxy]pyrimidin-5-yl]carbamate (CID 145443905) is propan-2-yl N-[2-[(2R)-2-hydroxypropoxy]pyrimidin-5-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[2-[(2R)-2-hydroxypropoxy]pyrimidin-5-yl]carbamate?
The canonical SMILES for propan-2-yl N-[2-[(2R)-2-hydroxypropoxy]pyrimidin-5-yl]carbamate is CC(C)OC(=O)Nc1cnc(OC[C@@H](C)O)nc1.
What is the InChIKey of propan-2-yl N-[2-[(2R)-2-hydroxypropoxy]pyrimidin-5-yl]carbamate?
The InChIKey is IFBBJXNRBCKPLF-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-7(2)18-11(16)14-9-4-12-10(13-5-9)17-6-8(3)15/h4-5,7-8,15H,6H2,1-3H3,(H,14,16)/t8-/m1/s1.
What are the key properties of propan-2-yl N-[2-[(2R)-2-hydroxypropoxy]pyrimidin-5-yl]carbamate?
propan-2-yl N-[2-[(2R)-2-hydroxypropoxy]pyrimidin-5-yl]carbamate has a molecular weight of 255.27 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[2-[(2R)-2-hydroxypropoxy]pyrimidin-5-yl]carbamate is sourced from PubChem (CID 145443905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).