3,3,3-trifluoro-N-(4-pyrimidin-2-yloxycyclohexyl)propanamide

C13H16F3N3O2 — CID 90633412

IUPAC3,3,3-trifluoro-N-(4-pyrimidin-2-yloxycyclohexyl)propanamide
SMILESO=C(CC(F)(F)F)NC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)8-11(20)19-9-2-4-10(5-3-9)21-12-17-6-1-7-18-12/h1,6-7,9-10H,2-5,8H2,(H,19,20)
InChIKeyCMSAYVFMECGJMP-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.24
Rot. Bonds4

About 3,3,3-trifluoro-N-(4-pyrimidin-2-yloxycyclohexyl)propanamide

3,3,3-trifluoro-N-(4-pyrimidin-2-yloxycyclohexyl)propanamide (PubChem CID 90633412) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(4-pyrimidin-2-yloxycyclohexyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(4-pyrimidin-2-yloxycyclohexyl)propanamide
PubChem CID90633412
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Name3,3,3-trifluoro-N-(4-pyrimidin-2-yloxycyclohexyl)propanamide
SMILESO=C(CC(F)(F)F)NC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)8-11(20)19-9-2-4-10(5-3-9)21-12-17-6-1-7-18-12/h1,6-7,9-10H,2-5,8H2,(H,19,20)
InChIKeyCMSAYVFMECGJMP-UHFFFAOYSA-N
XLogP2.24
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(4-pyrimidin-2-yloxycyclohexyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(4-pyrimidin-2-yloxycyclohexyl)propanamide (CID 90633412) is 3,3,3-trifluoro-N-(4-pyrimidin-2-yloxycyclohexyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(4-pyrimidin-2-yloxycyclohexyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(4-pyrimidin-2-yloxycyclohexyl)propanamide is O=C(CC(F)(F)F)NC1CCC(Oc2ncccn2)CC1.
What is the InChIKey of 3,3,3-trifluoro-N-(4-pyrimidin-2-yloxycyclohexyl)propanamide?
The InChIKey is CMSAYVFMECGJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c14-13(15,16)8-11(20)19-9-2-4-10(5-3-9)21-12-17-6-1-7-18-12/h1,6-7,9-10H,2-5,8H2,(H,19,20).
What are the key properties of 3,3,3-trifluoro-N-(4-pyrimidin-2-yloxycyclohexyl)propanamide?
3,3,3-trifluoro-N-(4-pyrimidin-2-yloxycyclohexyl)propanamide has a molecular weight of 303.28 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(4-pyrimidin-2-yloxycyclohexyl)propanamide is sourced from PubChem (CID 90633412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).