(2-methyl-1-pyrimidin-5-yloxypropan-2-yl) carbamate

C9H13N3O3 — CID 175863332

IUPAC(2-methyl-1-pyrimidin-5-yloxypropan-2-yl) carbamate
SMILESCC(C)(COc1cncnc1)OC(N)=O
InChIInChI=1S/C9H13N3O3/c1-9(2,15-8(10)13)5-14-7-3-11-6-12-4-7/h3-4,6H,5H2,1-2H3,(H2,10,13)
InChIKeyGEOUXPMQWOFBAH-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.73
Rot. Bonds4

About (2-methyl-1-pyrimidin-5-yloxypropan-2-yl) carbamate

(2-methyl-1-pyrimidin-5-yloxypropan-2-yl) carbamate (PubChem CID 175863332) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is (2-methyl-1-pyrimidin-5-yloxypropan-2-yl) carbamate.

Molecular Properties

Compound Name(2-methyl-1-pyrimidin-5-yloxypropan-2-yl) carbamate
PubChem CID175863332
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name(2-methyl-1-pyrimidin-5-yloxypropan-2-yl) carbamate
SMILESCC(C)(COc1cncnc1)OC(N)=O
InChIInChI=1S/C9H13N3O3/c1-9(2,15-8(10)13)5-14-7-3-11-6-12-4-7/h3-4,6H,5H2,1-2H3,(H2,10,13)
InChIKeyGEOUXPMQWOFBAH-UHFFFAOYSA-N
XLogP0.73
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-pyrimidin-5-yloxypropan-2-yl) carbamate?
The IUPAC name of (2-methyl-1-pyrimidin-5-yloxypropan-2-yl) carbamate (CID 175863332) is (2-methyl-1-pyrimidin-5-yloxypropan-2-yl) carbamate.
What is the SMILES notation for (2-methyl-1-pyrimidin-5-yloxypropan-2-yl) carbamate?
The canonical SMILES for (2-methyl-1-pyrimidin-5-yloxypropan-2-yl) carbamate is CC(C)(COc1cncnc1)OC(N)=O.
What is the InChIKey of (2-methyl-1-pyrimidin-5-yloxypropan-2-yl) carbamate?
The InChIKey is GEOUXPMQWOFBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-9(2,15-8(10)13)5-14-7-3-11-6-12-4-7/h3-4,6H,5H2,1-2H3,(H2,10,13).
What are the key properties of (2-methyl-1-pyrimidin-5-yloxypropan-2-yl) carbamate?
(2-methyl-1-pyrimidin-5-yloxypropan-2-yl) carbamate has a molecular weight of 211.22 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-pyrimidin-5-yloxypropan-2-yl) carbamate is sourced from PubChem (CID 175863332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).