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

C10H12F3N3 — CID 141342019

IUPACN-methyl-1-[2-(trifluoromethyl)pyrimidin-4-yl]cyclobutan-1-amine
SMILESCNC1(c2ccnc(C(F)(F)F)n2)CCC1
InChIInChI=1S/C10H12F3N3/c1-14-9(4-2-5-9)7-3-6-15-8(16-7)10(11,12)13/h3,6,14H,2,4-5H2,1H3
InChIKeyQLHWEYWOWJGNBS-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.09
Rot. Bonds2

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

N-methyl-1-[2-(trifluoromethyl)pyrimidin-4-yl]cyclobutan-1-amine (PubChem CID 141342019) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is N-methyl-1-[2-(trifluoromethyl)pyrimidin-4-yl]cyclobutan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[2-(trifluoromethyl)pyrimidin-4-yl]cyclobutan-1-amine
PubChem CID141342019
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC NameN-methyl-1-[2-(trifluoromethyl)pyrimidin-4-yl]cyclobutan-1-amine
SMILESCNC1(c2ccnc(C(F)(F)F)n2)CCC1
InChIInChI=1S/C10H12F3N3/c1-14-9(4-2-5-9)7-3-6-15-8(16-7)10(11,12)13/h3,6,14H,2,4-5H2,1H3
InChIKeyQLHWEYWOWJGNBS-UHFFFAOYSA-N
XLogP2.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-methylpyrimidin-2-amine
CID 12450610
4-(Pyrrolidin-2-yl)pyrimidine
CID 13639423
4-(Piperidin-4-yl)pyrimidine
CID 17894842
4-Cyclobutylpyrimidin-2-amine
CID 49758446
4-(Piperidin-3-yl)pyrimidin-2-amine
CID 61727251
2-Methyl-4-(pyrrolidin-3-yl)pyrimidine
CID 80503403
N,4-ditert-butylpyrimidin-2-amine
CID 12450630
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56870118
2-Methyl-4-(3-methylpiperidin-3-yl)pyrimidine
CID 66509816
Piperidin-4-yl-aminopyrimidine
CID 61728035
1-(2-Methylpyrimidin-4-yl)ethan-1-amine
CID 82418546
2-(4-Cyclopropylpyrimidin-2-yl)ethan-1-amine
CID 63318872

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(trifluoromethyl)pyrimidin-4-yl]cyclobutan-1-amine?
The IUPAC name of N-methyl-1-[2-(trifluoromethyl)pyrimidin-4-yl]cyclobutan-1-amine (CID 141342019) is N-methyl-1-[2-(trifluoromethyl)pyrimidin-4-yl]cyclobutan-1-amine.
What is the SMILES notation for N-methyl-1-[2-(trifluoromethyl)pyrimidin-4-yl]cyclobutan-1-amine?
The canonical SMILES for N-methyl-1-[2-(trifluoromethyl)pyrimidin-4-yl]cyclobutan-1-amine is CNC1(c2ccnc(C(F)(F)F)n2)CCC1.
What is the InChIKey of N-methyl-1-[2-(trifluoromethyl)pyrimidin-4-yl]cyclobutan-1-amine?
The InChIKey is QLHWEYWOWJGNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3/c1-14-9(4-2-5-9)7-3-6-15-8(16-7)10(11,12)13/h3,6,14H,2,4-5H2,1H3.
What are the key properties of N-methyl-1-[2-(trifluoromethyl)pyrimidin-4-yl]cyclobutan-1-amine?
N-methyl-1-[2-(trifluoromethyl)pyrimidin-4-yl]cyclobutan-1-amine has a molecular weight of 231.22 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(trifluoromethyl)pyrimidin-4-yl]cyclobutan-1-amine is sourced from PubChem (CID 141342019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).