2-(cyclopentylmethyl)-5-(trifluoromethyl)pyrimidin-4-amine

C11H14F3N3 — CID 157417195

IUPAC2-(cyclopentylmethyl)-5-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1nc(CC2CCCC2)ncc1C(F)(F)F
InChIInChI=1S/C11H14F3N3/c12-11(13,14)8-6-16-9(17-10(8)15)5-7-3-1-2-4-7/h6-7H,1-5H2,(H2,15,16,17)
InChIKeyBOZKRNDOXPEMSM-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.81
Rot. Bonds2

About 2-(cyclopentylmethyl)-5-(trifluoromethyl)pyrimidin-4-amine

2-(cyclopentylmethyl)-5-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 157417195) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-5-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-5-(trifluoromethyl)pyrimidin-4-amine
PubChem CID157417195
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name2-(cyclopentylmethyl)-5-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1nc(CC2CCCC2)ncc1C(F)(F)F
InChIInChI=1S/C11H14F3N3/c12-11(13,14)8-6-16-9(17-10(8)15)5-7-3-1-2-4-7/h6-7H,1-5H2,(H2,15,16,17)
InChIKeyBOZKRNDOXPEMSM-UHFFFAOYSA-N
XLogP2.81
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-5-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-(cyclopentylmethyl)-5-(trifluoromethyl)pyrimidin-4-amine (CID 157417195) is 2-(cyclopentylmethyl)-5-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(cyclopentylmethyl)-5-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(cyclopentylmethyl)-5-(trifluoromethyl)pyrimidin-4-amine is Nc1nc(CC2CCCC2)ncc1C(F)(F)F.
What is the InChIKey of 2-(cyclopentylmethyl)-5-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is BOZKRNDOXPEMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3/c12-11(13,14)8-6-16-9(17-10(8)15)5-7-3-1-2-4-7/h6-7H,1-5H2,(H2,15,16,17).
What are the key properties of 2-(cyclopentylmethyl)-5-(trifluoromethyl)pyrimidin-4-amine?
2-(cyclopentylmethyl)-5-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 245.25 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-5-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 157417195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).