6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-amine

C13H20F3N5 — CID 106771344

IUPAC6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(C)CC1CCN(c2cc(N)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C13H20F3N5/c1-20(2)8-9-3-5-21(6-4-9)11-7-10(17)18-12(19-11)13(14,15)16/h7,9H,3-6,8H2,1-2H3,(H2,17,18,19)
InChIKeyRCAKGCMXOGRDCK-UHFFFAOYSA-N
MW303.33 g/mol
LogP1.86
Rot. Bonds3

About 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-amine

6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106771344) has the molecular formula C13H20F3N5 and a molecular weight of 303.33 g/mol. Its IUPAC name is 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106771344
Molecular FormulaC13H20F3N5
Molecular Weight303.33 g/mol
Exact Mass303.17
IUPAC Name6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(C)CC1CCN(c2cc(N)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C13H20F3N5/c1-20(2)8-9-3-5-21(6-4-9)11-7-10(17)18-12(19-11)13(14,15)16/h7,9H,3-6,8H2,1-2H3,(H2,17,18,19)
InChIKeyRCAKGCMXOGRDCK-UHFFFAOYSA-N
XLogP1.86
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrimidin-4-amine
CID 80960281
6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106772949
6-(3,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773226
6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106770242
1-[1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol
CID 106839876
1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 106769928
1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 106771825
2-tert-butyl-6-(4-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 80961329
6-[4-(dimethylamino)piperidin-1-yl]pyrimidine-2,4-diamine
CID 80792622
6-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 107460198
1-[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 54986345
4-[4-[(2S)-1-[6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-4-oxobutyl]benzonitrile
CID 161000589

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-amine (CID 106771344) is 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-amine is CN(C)CC1CCN(c2cc(N)nc(C(F)(F)F)n2)CC1.
What is the InChIKey of 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is RCAKGCMXOGRDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N5/c1-20(2)8-9-3-5-21(6-4-9)11-7-10(17)18-12(19-11)13(14,15)16/h7,9H,3-6,8H2,1-2H3,(H2,17,18,19).
What are the key properties of 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-amine?
6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 303.33 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106771344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).