N-[[1-(dimethylamino)cyclobutyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine

C12H17F3N4 — CID 105418954

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCN(C)C1(CNc2nccc(C(F)(F)F)n2)CCC1
InChIInChI=1S/C12H17F3N4/c1-19(2)11(5-3-6-11)8-17-10-16-7-4-9(18-10)12(13,14)15/h4,7H,3,5-6,8H2,1-2H3,(H,16,17,18)
InChIKeyGSVAUVQTNAYTED-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.39
Rot. Bonds4

About N-[[1-(dimethylamino)cyclobutyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[[1-(dimethylamino)cyclobutyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 105418954) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID105418954
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCN(C)C1(CNc2nccc(C(F)(F)F)n2)CCC1
InChIInChI=1S/C12H17F3N4/c1-19(2)11(5-3-6-11)8-17-10-16-7-4-9(18-10)12(13,14)15/h4,7H,3,5-6,8H2,1-2H3,(H,16,17,18)
InChIKeyGSVAUVQTNAYTED-UHFFFAOYSA-N
XLogP2.39
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 105418954) is N-[[1-(dimethylamino)cyclobutyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine is CN(C)C1(CNc2nccc(C(F)(F)F)n2)CCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is GSVAUVQTNAYTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c1-19(2)11(5-3-6-11)8-17-10-16-7-4-9(18-10)12(13,14)15/h4,7H,3,5-6,8H2,1-2H3,(H,16,17,18).
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[[1-(dimethylamino)cyclobutyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 274.29 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 105418954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).