[1-[2-(6-chloropyrimidin-4-yl)-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate

C16H15ClF3N3O2 — CID 150779756

IUPAC[1-[2-(6-chloropyrimidin-4-yl)-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate
SMILESCC(C)(Cc1cc(C(F)(F)F)ccc1-c1cc(Cl)ncn1)OC(N)=O
InChIInChI=1S/C16H15ClF3N3O2/c1-15(2,25-14(21)24)7-9-5-10(16(18,19)20)3-4-11(9)12-6-13(17)23-8-22-12/h3-6,8H,7H2,1-2H3,(H2,21,24)
InChIKeyKBPWMMLMRPWWLY-UHFFFAOYSA-N
MW373.76 g/mol
LogP4.23
Rot. Bonds4

About [1-[2-(6-chloropyrimidin-4-yl)-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate

[1-[2-(6-chloropyrimidin-4-yl)-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate (PubChem CID 150779756) has the molecular formula C16H15ClF3N3O2 and a molecular weight of 373.76 g/mol. Its IUPAC name is [1-[2-(6-chloropyrimidin-4-yl)-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[2-(6-chloropyrimidin-4-yl)-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate
PubChem CID150779756
Molecular FormulaC16H15ClF3N3O2
Molecular Weight373.76 g/mol
Exact Mass373.08
IUPAC Name[1-[2-(6-chloropyrimidin-4-yl)-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate
SMILESCC(C)(Cc1cc(C(F)(F)F)ccc1-c1cc(Cl)ncn1)OC(N)=O
InChIInChI=1S/C16H15ClF3N3O2/c1-15(2,25-14(21)24)7-9-5-10(16(18,19)20)3-4-11(9)12-6-13(17)23-8-22-12/h3-6,8H,7H2,1-2H3,(H2,21,24)
InChIKeyKBPWMMLMRPWWLY-UHFFFAOYSA-N
XLogP4.23
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.76
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(6-chloropyrimidin-4-yl)-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate?
The IUPAC name of [1-[2-(6-chloropyrimidin-4-yl)-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate (CID 150779756) is [1-[2-(6-chloropyrimidin-4-yl)-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate.
What is the SMILES notation for [1-[2-(6-chloropyrimidin-4-yl)-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate?
The canonical SMILES for [1-[2-(6-chloropyrimidin-4-yl)-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate is CC(C)(Cc1cc(C(F)(F)F)ccc1-c1cc(Cl)ncn1)OC(N)=O.
What is the InChIKey of [1-[2-(6-chloropyrimidin-4-yl)-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate?
The InChIKey is KBPWMMLMRPWWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3O2/c1-15(2,25-14(21)24)7-9-5-10(16(18,19)20)3-4-11(9)12-6-13(17)23-8-22-12/h3-6,8H,7H2,1-2H3,(H2,21,24).
What are the key properties of [1-[2-(6-chloropyrimidin-4-yl)-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate?
[1-[2-(6-chloropyrimidin-4-yl)-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate has a molecular weight of 373.76 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(6-chloropyrimidin-4-yl)-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate is sourced from PubChem (CID 150779756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).