propan-2-yl N-(2,6-dichloropyrimidin-4-yl)carbamate

C8H9Cl2N3O2 — CID 131748063

IUPACpropan-2-yl N-(2,6-dichloropyrimidin-4-yl)carbamate
SMILESCC(C)OC(=O)Nc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C8H9Cl2N3O2/c1-4(2)15-8(14)13-6-3-5(9)11-7(10)12-6/h3-4H,1-2H3,(H,11,12,13,14)
InChIKeyWOSBWTFFPWDJHO-UHFFFAOYSA-N
MW250.08 g/mol
LogP2.74
Rot. Bonds2

About propan-2-yl N-(2,6-dichloropyrimidin-4-yl)carbamate

propan-2-yl N-(2,6-dichloropyrimidin-4-yl)carbamate (PubChem CID 131748063) has the molecular formula C8H9Cl2N3O2 and a molecular weight of 250.08 g/mol. Its IUPAC name is propan-2-yl N-(2,6-dichloropyrimidin-4-yl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(2,6-dichloropyrimidin-4-yl)carbamate
PubChem CID131748063
Molecular FormulaC8H9Cl2N3O2
Molecular Weight250.08 g/mol
Exact Mass249.01
IUPAC Namepropan-2-yl N-(2,6-dichloropyrimidin-4-yl)carbamate
SMILESCC(C)OC(=O)Nc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C8H9Cl2N3O2/c1-4(2)15-8(14)13-6-3-5(9)11-7(10)12-6/h3-4H,1-2H3,(H,11,12,13,14)
InChIKeyWOSBWTFFPWDJHO-UHFFFAOYSA-N
XLogP2.74
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(2,6-dichloropyrimidin-4-yl)carbamate?
The IUPAC name of propan-2-yl N-(2,6-dichloropyrimidin-4-yl)carbamate (CID 131748063) is propan-2-yl N-(2,6-dichloropyrimidin-4-yl)carbamate.
What is the SMILES notation for propan-2-yl N-(2,6-dichloropyrimidin-4-yl)carbamate?
The canonical SMILES for propan-2-yl N-(2,6-dichloropyrimidin-4-yl)carbamate is CC(C)OC(=O)Nc1cc(Cl)nc(Cl)n1.
What is the InChIKey of propan-2-yl N-(2,6-dichloropyrimidin-4-yl)carbamate?
The InChIKey is WOSBWTFFPWDJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N3O2/c1-4(2)15-8(14)13-6-3-5(9)11-7(10)12-6/h3-4H,1-2H3,(H,11,12,13,14).
What are the key properties of propan-2-yl N-(2,6-dichloropyrimidin-4-yl)carbamate?
propan-2-yl N-(2,6-dichloropyrimidin-4-yl)carbamate has a molecular weight of 250.08 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(2,6-dichloropyrimidin-4-yl)carbamate is sourced from PubChem (CID 131748063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).