[1-[3-(2-amino-6-methylpyrimidin-4-yl)-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate

C17H19F3N4O2 — CID 150015004

IUPAC[1-[3-(2-amino-6-methylpyrimidin-4-yl)-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate
SMILESCc1cc(-c2cc(CC(C)(C)OC(N)=O)cc(C(F)(F)F)c2)nc(N)n1
InChIInChI=1S/C17H19F3N4O2/c1-9-4-13(24-14(21)23-9)11-5-10(6-12(7-11)17(18,19)20)8-16(2,3)26-15(22)25/h4-7H,8H2,1-3H3,(H2,22,25)(H2,21,23,24)
InChIKeyDEBNISIRNYKDBH-UHFFFAOYSA-N
MW368.36 g/mol
LogP3.47
Rot. Bonds4

About [1-[3-(2-amino-6-methylpyrimidin-4-yl)-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate

[1-[3-(2-amino-6-methylpyrimidin-4-yl)-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate (PubChem CID 150015004) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is [1-[3-(2-amino-6-methylpyrimidin-4-yl)-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[3-(2-amino-6-methylpyrimidin-4-yl)-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate
PubChem CID150015004
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC Name[1-[3-(2-amino-6-methylpyrimidin-4-yl)-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate
SMILESCc1cc(-c2cc(CC(C)(C)OC(N)=O)cc(C(F)(F)F)c2)nc(N)n1
InChIInChI=1S/C17H19F3N4O2/c1-9-4-13(24-14(21)23-9)11-5-10(6-12(7-11)17(18,19)20)8-16(2,3)26-15(22)25/h4-7H,8H2,1-3H3,(H2,22,25)(H2,21,23,24)
InChIKeyDEBNISIRNYKDBH-UHFFFAOYSA-N
XLogP3.47
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(2-amino-6-methylpyrimidin-4-yl)-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate?
The IUPAC name of [1-[3-(2-amino-6-methylpyrimidin-4-yl)-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate (CID 150015004) is [1-[3-(2-amino-6-methylpyrimidin-4-yl)-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate.
What is the SMILES notation for [1-[3-(2-amino-6-methylpyrimidin-4-yl)-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate?
The canonical SMILES for [1-[3-(2-amino-6-methylpyrimidin-4-yl)-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate is Cc1cc(-c2cc(CC(C)(C)OC(N)=O)cc(C(F)(F)F)c2)nc(N)n1.
What is the InChIKey of [1-[3-(2-amino-6-methylpyrimidin-4-yl)-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate?
The InChIKey is DEBNISIRNYKDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c1-9-4-13(24-14(21)23-9)11-5-10(6-12(7-11)17(18,19)20)8-16(2,3)26-15(22)25/h4-7H,8H2,1-3H3,(H2,22,25)(H2,21,23,24).
What are the key properties of [1-[3-(2-amino-6-methylpyrimidin-4-yl)-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate?
[1-[3-(2-amino-6-methylpyrimidin-4-yl)-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate has a molecular weight of 368.36 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2-amino-6-methylpyrimidin-4-yl)-5-(trifluoromethyl)phenyl]-2-methylpropan-2-yl] carbamate is sourced from PubChem (CID 150015004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).