N-[[4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]cyclopropanamine

C11H14F3N3O — CID 114217177

IUPACN-[[4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESCC(Oc1ncncc1CNC1CC1)C(F)(F)F
InChIInChI=1S/C11H14F3N3O/c1-7(11(12,13)14)18-10-8(4-15-6-17-10)5-16-9-2-3-9/h4,6-7,9,16H,2-3,5H2,1H3
InChIKeySBXAUCGMEDJRBE-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.06
Rot. Bonds5

About N-[[4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]cyclopropanamine

N-[[4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]cyclopropanamine (PubChem CID 114217177) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is N-[[4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]cyclopropanamine
PubChem CID114217177
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC NameN-[[4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESCC(Oc1ncncc1CNC1CC1)C(F)(F)F
InChIInChI=1S/C11H14F3N3O/c1-7(11(12,13)14)18-10-8(4-15-6-17-10)5-16-9-2-3-9/h4,6-7,9,16H,2-3,5H2,1H3
InChIKeySBXAUCGMEDJRBE-UHFFFAOYSA-N
XLogP2.06
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]cyclopropanamine (CID 114217177) is N-[[4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]cyclopropanamine is CC(Oc1ncncc1CNC1CC1)C(F)(F)F.
What is the InChIKey of N-[[4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]cyclopropanamine?
The InChIKey is SBXAUCGMEDJRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-7(11(12,13)14)18-10-8(4-15-6-17-10)5-16-9-2-3-9/h4,6-7,9,16H,2-3,5H2,1H3.
What are the key properties of N-[[4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]cyclopropanamine?
N-[[4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]cyclopropanamine has a molecular weight of 261.25 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114217177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).