2-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-amine

C11H14F3N3O — CID 114207086

IUPAC2-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-amine
SMILESNc1cnc(CC2CCCCO2)nc1C(F)(F)F
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)10-8(15)6-16-9(17-10)5-7-3-1-2-4-18-7/h6-7H,1-5,15H2
InChIKeyARMADJBEPWQJLE-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.19
Rot. Bonds2

About 2-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-amine

2-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-amine (PubChem CID 114207086) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-amine
PubChem CID114207086
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name2-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-amine
SMILESNc1cnc(CC2CCCCO2)nc1C(F)(F)F
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)10-8(15)6-16-9(17-10)5-7-3-1-2-4-18-7/h6-7H,1-5,15H2
InChIKeyARMADJBEPWQJLE-UHFFFAOYSA-N
XLogP2.19
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxolan-2-ylmethyl)pyrimidin-5-amine
CID 43142229
2-(oxan-2-ylmethyl)quinazoline
CID 123458550
6-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 112681350
2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008084
2-(3,3-dimethylbutyl)-4-(trifluoromethyl)pyrimidin-5-amine
CID 114212277
2-[[(2S)-oxolan-2-yl]methyl]-7H-purine
CID 175976285
6-(oxan-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773775
5-methyl-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid
CID 165447270
2-(oxan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79869424
2-methyl-4-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 113391174
5-bromo-2-(oxolan-2-ylmethyl)pyrimidine-4-carboxylic acid
CID 106512153
1-[2-(oxolan-2-ylmethyl)pyrimidin-5-yl]propan-2-amine
CID 62756821

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-amine?
The IUPAC name of 2-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-amine (CID 114207086) is 2-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-amine.
What is the SMILES notation for 2-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-amine?
The canonical SMILES for 2-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-amine is Nc1cnc(CC2CCCCO2)nc1C(F)(F)F.
What is the InChIKey of 2-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-amine?
The InChIKey is ARMADJBEPWQJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)10-8(15)6-16-9(17-10)5-7-3-1-2-4-18-7/h6-7H,1-5,15H2.
What are the key properties of 2-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-amine?
2-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-amine has a molecular weight of 261.25 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-amine is sourced from PubChem (CID 114207086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).