N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine

C13H19F3N4 — CID 103989959

IUPACN-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCN1CCC(C)(CNc2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C13H19F3N4/c1-12(4-7-20(2)8-5-12)9-18-11-17-6-3-10(19-11)13(14,15)16/h3,6H,4-5,7-9H2,1-2H3,(H,17,18,19)
InChIKeyDWFOJGIKGTTYLB-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.64
Rot. Bonds3

About N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 103989959) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID103989959
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCN1CCC(C)(CNc2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C13H19F3N4/c1-12(4-7-20(2)8-5-12)9-18-11-17-6-3-10(19-11)13(14,15)16/h3,6H,4-5,7-9H2,1-2H3,(H,17,18,19)
InChIKeyDWFOJGIKGTTYLB-UHFFFAOYSA-N
XLogP2.64
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 103989959) is N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine is CN1CCC(C)(CNc2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is DWFOJGIKGTTYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c1-12(4-7-20(2)8-5-12)9-18-11-17-6-3-10(19-11)13(14,15)16/h3,6H,4-5,7-9H2,1-2H3,(H,17,18,19).
What are the key properties of N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 288.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 103989959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).