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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,6-dichloropyrimidin-4-yl)-3-(ethylamino)butanamide
CID 114073216
N-(2,6-dichloropyrimidin-4-yl)-2,6-dimethylbenzamide
CID 114073585
propan-2-yl N-[3-methyl-5-(propan-2-yloxycarbonylamino)phenyl]carbamate
CID 137476904
2-[(2,6-dichloropyrimidin-4-yl)amino]propan-1-ol
CID 90302031
(2R)-1-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol
CID 90456586
N-(2,6-dichloropyrimidin-4-yl)-2,6-dihydroxybenzamide
CID 114073603
N-[4-[(2,6-dichloropyrimidin-4-yl)amino]phenyl]acetamide
CID 10613916
(4-nitrophenyl) N-(2,6-dichloropyrimidin-4-yl)carbamate
CID 155292903
6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;propan-2-yl N-phenylcarbamate
CID 21455185
propan-2-yl N-(4-chlorophenyl)carbamate
CID 16712
propan-2-yl N-(5-bromo-6-methyl-2-pyridinyl)carbamate
CID 79048971
propan-2-yl N-(5-cyano-2-pyridinyl)carbamate
CID 62353732

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).