N-[1-[(2,5-dichloropyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide

C9H14Cl2N4O2S — CID 79633335

IUPACN-[1-[(2,5-dichloropyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1nc(Cl)ncc1Cl)NS(C)(=O)=O
InChIInChI=1S/C9H14Cl2N4O2S/c1-9(2,15-18(3,16)17)5-13-7-6(10)4-12-8(11)14-7/h4,15H,5H2,1-3H3,(H,12,13,14)
InChIKeyOZJLBQWRFWTIGR-UHFFFAOYSA-N
MW313.21 g/mol
LogP1.52
Rot. Bonds5

About N-[1-[(2,5-dichloropyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[(2,5-dichloropyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 79633335) has the molecular formula C9H14Cl2N4O2S and a molecular weight of 313.21 g/mol. Its IUPAC name is N-[1-[(2,5-dichloropyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(2,5-dichloropyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID79633335
Molecular FormulaC9H14Cl2N4O2S
Molecular Weight313.21 g/mol
Exact Mass312.02
IUPAC NameN-[1-[(2,5-dichloropyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1nc(Cl)ncc1Cl)NS(C)(=O)=O
InChIInChI=1S/C9H14Cl2N4O2S/c1-9(2,15-18(3,16)17)5-13-7-6(10)4-12-8(11)14-7/h4,15H,5H2,1-3H3,(H,12,13,14)
InChIKeyOZJLBQWRFWTIGR-UHFFFAOYSA-N
XLogP1.52
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-{[4-(Dimethylamino)-5-methylpyrimidin-2-YL]amino}ethyl)-N-methylmethanesulfonamide
CID 50949787
5-chloro-2-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]pyrimidine
CID 84596788
N-[[(3R)-1-butylsulfonylpyrrolidin-3-yl]methyl]-5-chloro-2-methoxypyrimidin-4-amine
CID 164631741
2-chloro-N-(1-methylsulfonylazetidin-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine
CID 118464616
2-chloro-5-fluoro-N-(1-methylsulfonylazetidin-3-yl)pyrimidin-4-amine
CID 126629685
2-chloro-5-fluoro-N-(1-methylsulfinylazetidin-3-yl)pyrimidin-4-amine
CID 126711218
[3-[(2,5-Dichloropyrimidin-4-yl)amino]-4,4-difluorobutyl] methanesulfonate
CID 137408010
[3-[(2,5-Dichloropyrimidin-4-yl)amino]-2-fluoropropyl] methanesulfonate
CID 137418290
N-(2-{[4-(Dimethylamino)-5-fluoropyrimidin-2-YL]amino}ethyl)-N-methylmethanesulfonamide
CID 72905858
N-[1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 79076615
N-[2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 79080716
N-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 80787470

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,5-dichloropyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[(2,5-dichloropyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide (CID 79633335) is N-[1-[(2,5-dichloropyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(2,5-dichloropyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(2,5-dichloropyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide is CC(C)(CNc1nc(Cl)ncc1Cl)NS(C)(=O)=O.
What is the InChIKey of N-[1-[(2,5-dichloropyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is OZJLBQWRFWTIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Cl2N4O2S/c1-9(2,15-18(3,16)17)5-13-7-6(10)4-12-8(11)14-7/h4,15H,5H2,1-3H3,(H,12,13,14).
What are the key properties of N-[1-[(2,5-dichloropyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[(2,5-dichloropyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 313.21 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,5-dichloropyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 79633335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).