[4-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-5-yl]methanamine

C12H17F3N4 — CID 83188783

IUPAC[4-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-5-yl]methanamine
SMILESCc1nc(N2CCCC(C(F)(F)F)C2)ncc1CN
InChIInChI=1S/C12H17F3N4/c1-8-9(5-16)6-17-11(18-8)19-4-2-3-10(7-19)12(13,14)15/h6,10H,2-5,7,16H2,1H3
InChIKeyVJLLZELPHCGUAC-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.02
Rot. Bonds2

About [4-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-5-yl]methanamine

[4-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-5-yl]methanamine (PubChem CID 83188783) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is [4-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-5-yl]methanamine
PubChem CID83188783
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC Name[4-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-5-yl]methanamine
SMILESCc1nc(N2CCCC(C(F)(F)F)C2)ncc1CN
InChIInChI=1S/C12H17F3N4/c1-8-9(5-16)6-17-11(18-8)19-4-2-3-10(7-19)12(13,14)15/h6,10H,2-5,7,16H2,1H3
InChIKeyVJLLZELPHCGUAC-UHFFFAOYSA-N
XLogP2.02
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(azepan-1-yl)-4-methylpyrimidin-5-yl]methanamine
CID 83186430
[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methylpyrimidin-5-yl]methanamine
CID 83189400
[4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-5-yl]methanamine
CID 83189163
5-chloro-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 172880679
[6-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-yl]methanamine
CID 66449158
1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpiperidin-3-amine
CID 83184413
4-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 126817206
[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-methylpyrimidin-5-yl]methanamine
CID 83188721
4-(1-methylpyrazol-4-yl)-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 31125821
N-[[2-(3-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83186135
6-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine
CID 129372273
[2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methanamine
CID 83185118

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-5-yl]methanamine?
The IUPAC name of [4-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-5-yl]methanamine (CID 83188783) is [4-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-5-yl]methanamine.
What is the SMILES notation for [4-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-5-yl]methanamine?
The canonical SMILES for [4-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-5-yl]methanamine is Cc1nc(N2CCCC(C(F)(F)F)C2)ncc1CN.
What is the InChIKey of [4-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-5-yl]methanamine?
The InChIKey is VJLLZELPHCGUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c1-8-9(5-16)6-17-11(18-8)19-4-2-3-10(7-19)12(13,14)15/h6,10H,2-5,7,16H2,1H3.
What are the key properties of [4-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-5-yl]methanamine?
[4-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-5-yl]methanamine has a molecular weight of 274.29 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-5-yl]methanamine is sourced from PubChem (CID 83188783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).