N-[(2-cyclobutyloxyphenyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine

C16H16F3N3O — CID 133308848

IUPACN-[(2-cyclobutyloxyphenyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NCc2ccccc2OC2CCC2)n1
InChIInChI=1S/C16H16F3N3O/c17-16(18,19)14-8-9-20-15(22-14)21-10-11-4-1-2-7-13(11)23-12-5-3-6-12/h1-2,4,7-9,12H,3,5-6,10H2,(H,20,21,22)
InChIKeyAIYPFKBELRVPAY-UHFFFAOYSA-N
MW323.32 g/mol
LogP4.04
Rot. Bonds5

About N-[(2-cyclobutyloxyphenyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[(2-cyclobutyloxyphenyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 133308848) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is N-[(2-cyclobutyloxyphenyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2-cyclobutyloxyphenyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID133308848
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC NameN-[(2-cyclobutyloxyphenyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NCc2ccccc2OC2CCC2)n1
InChIInChI=1S/C16H16F3N3O/c17-16(18,19)14-8-9-20-15(22-14)21-10-11-4-1-2-7-13(11)23-12-5-3-6-12/h1-2,4,7-9,12H,3,5-6,10H2,(H,20,21,22)
InChIKeyAIYPFKBELRVPAY-UHFFFAOYSA-N
XLogP4.04
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclobutyloxyphenyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[(2-cyclobutyloxyphenyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 133308848) is N-[(2-cyclobutyloxyphenyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(2-cyclobutyloxyphenyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[(2-cyclobutyloxyphenyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1ccnc(NCc2ccccc2OC2CCC2)n1.
What is the InChIKey of N-[(2-cyclobutyloxyphenyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is AIYPFKBELRVPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c17-16(18,19)14-8-9-20-15(22-14)21-10-11-4-1-2-7-13(11)23-12-5-3-6-12/h1-2,4,7-9,12H,3,5-6,10H2,(H,20,21,22).
What are the key properties of N-[(2-cyclobutyloxyphenyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[(2-cyclobutyloxyphenyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 323.32 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclobutyloxyphenyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 133308848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).