N-[3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-2-methylpropyl]cyclopropanamine

C15H22F3N3 — CID 65293403

IUPACN-[3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-2-methylpropyl]cyclopropanamine
SMILESCc1nc(CC(F)(F)F)nc(C)c1CC(C)CNC1CC1
InChIInChI=1S/C15H22F3N3/c1-9(8-19-12-4-5-12)6-13-10(2)20-14(21-11(13)3)7-15(16,17)18/h9,12,19H,4-8H2,1-3H3
InChIKeyWLOOADTVMBYPOB-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.13
Rot. Bonds6

About N-[3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-2-methylpropyl]cyclopropanamine

N-[3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-2-methylpropyl]cyclopropanamine (PubChem CID 65293403) has the molecular formula C15H22F3N3 and a molecular weight of 301.36 g/mol. Its IUPAC name is N-[3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-2-methylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-2-methylpropyl]cyclopropanamine
PubChem CID65293403
Molecular FormulaC15H22F3N3
Molecular Weight301.36 g/mol
Exact Mass301.18
IUPAC NameN-[3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-2-methylpropyl]cyclopropanamine
SMILESCc1nc(CC(F)(F)F)nc(C)c1CC(C)CNC1CC1
InChIInChI=1S/C15H22F3N3/c1-9(8-19-12-4-5-12)6-13-10(2)20-14(21-11(13)3)7-15(16,17)18/h9,12,19H,4-8H2,1-3H3
InChIKeyWLOOADTVMBYPOB-UHFFFAOYSA-N
XLogP3.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-2-methylpropyl]cyclopropanamine?
The IUPAC name of N-[3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-2-methylpropyl]cyclopropanamine (CID 65293403) is N-[3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-2-methylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-2-methylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-2-methylpropyl]cyclopropanamine is Cc1nc(CC(F)(F)F)nc(C)c1CC(C)CNC1CC1.
What is the InChIKey of N-[3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-2-methylpropyl]cyclopropanamine?
The InChIKey is WLOOADTVMBYPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3/c1-9(8-19-12-4-5-12)6-13-10(2)20-14(21-11(13)3)7-15(16,17)18/h9,12,19H,4-8H2,1-3H3.
What are the key properties of N-[3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-2-methylpropyl]cyclopropanamine?
N-[3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-2-methylpropyl]cyclopropanamine has a molecular weight of 301.36 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-2-methylpropyl]cyclopropanamine is sourced from PubChem (CID 65293403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).