N-[1-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-yl]methanesulfonamide

C10H14ClF3N4O2S — CID 106767847

IUPACN-[1-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1cc(Cl)nc(C(F)(F)F)n1)NS(C)(=O)=O
InChIInChI=1S/C10H14ClF3N4O2S/c1-9(2,18-21(3,19)20)5-15-7-4-6(11)16-8(17-7)10(12,13)14/h4,18H,5H2,1-3H3,(H,15,16,17)
InChIKeyGZNBBCPLMJEANO-UHFFFAOYSA-N
MW346.76 g/mol
LogP1.89
Rot. Bonds5

About N-[1-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 106767847) has the molecular formula C10H14ClF3N4O2S and a molecular weight of 346.76 g/mol. Its IUPAC name is N-[1-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID106767847
Molecular FormulaC10H14ClF3N4O2S
Molecular Weight346.76 g/mol
Exact Mass346.05
IUPAC NameN-[1-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1cc(Cl)nc(C(F)(F)F)n1)NS(C)(=O)=O
InChIInChI=1S/C10H14ClF3N4O2S/c1-9(2,18-21(3,19)20)5-15-7-4-6(11)16-8(17-7)10(12,13)14/h4,18H,5H2,1-3H3,(H,15,16,17)
InChIKeyGZNBBCPLMJEANO-UHFFFAOYSA-N
XLogP1.89
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.76
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-yl]methanesulfonamide (CID 106767847) is N-[1-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-yl]methanesulfonamide is CC(C)(CNc1cc(Cl)nc(C(F)(F)F)n1)NS(C)(=O)=O.
What is the InChIKey of N-[1-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is GZNBBCPLMJEANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClF3N4O2S/c1-9(2,18-21(3,19)20)5-15-7-4-6(11)16-8(17-7)10(12,13)14/h4,18H,5H2,1-3H3,(H,15,16,17).
What are the key properties of N-[1-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 346.76 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 106767847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).