N-[2-[4,6-diethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]cyclopropanamine

C15H22F3N3 — CID 79219627

IUPACN-[2-[4,6-diethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]cyclopropanamine
SMILESCCc1nc(CC(F)(F)F)nc(CC)c1CCNC1CC1
InChIInChI=1S/C15H22F3N3/c1-3-12-11(7-8-19-10-5-6-10)13(4-2)21-14(20-12)9-15(16,17)18/h10,19H,3-9H2,1-2H3
InChIKeyQXFKEFFZAYMMER-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.00
Rot. Bonds7

About N-[2-[4,6-diethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]cyclopropanamine

N-[2-[4,6-diethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]cyclopropanamine (PubChem CID 79219627) has the molecular formula C15H22F3N3 and a molecular weight of 301.36 g/mol. Its IUPAC name is N-[2-[4,6-diethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[4,6-diethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]cyclopropanamine
PubChem CID79219627
Molecular FormulaC15H22F3N3
Molecular Weight301.36 g/mol
Exact Mass301.18
IUPAC NameN-[2-[4,6-diethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]cyclopropanamine
SMILESCCc1nc(CC(F)(F)F)nc(CC)c1CCNC1CC1
InChIInChI=1S/C15H22F3N3/c1-3-12-11(7-8-19-10-5-6-10)13(4-2)21-14(20-12)9-15(16,17)18/h10,19H,3-9H2,1-2H3
InChIKeyQXFKEFFZAYMMER-UHFFFAOYSA-N
XLogP3.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4,6-diethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[4,6-diethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]cyclopropanamine (CID 79219627) is N-[2-[4,6-diethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[4,6-diethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[4,6-diethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]cyclopropanamine is CCc1nc(CC(F)(F)F)nc(CC)c1CCNC1CC1.
What is the InChIKey of N-[2-[4,6-diethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]cyclopropanamine?
The InChIKey is QXFKEFFZAYMMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3/c1-3-12-11(7-8-19-10-5-6-10)13(4-2)21-14(20-12)9-15(16,17)18/h10,19H,3-9H2,1-2H3.
What are the key properties of N-[2-[4,6-diethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]cyclopropanamine?
N-[2-[4,6-diethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]cyclopropanamine has a molecular weight of 301.36 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4,6-diethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 79219627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).