4-methyl-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine

C10H13F3N4 — CID 67413804

IUPAC4-methyl-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCC[C@H]2C(F)(F)F)nc(N)n1
InChIInChI=1S/C10H13F3N4/c1-6-5-8(16-9(14)15-6)17-4-2-3-7(17)10(11,12)13/h5,7H,2-4H2,1H3,(H2,14,15,16)/t7-/m0/s1
InChIKeyFNQBBCQNDLSVEZ-ZETCQYMHSA-N
MW246.24 g/mol
LogP1.90
Rot. Bonds1

About 4-methyl-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine

4-methyl-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine (PubChem CID 67413804) has the molecular formula C10H13F3N4 and a molecular weight of 246.24 g/mol. Its IUPAC name is 4-methyl-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine
PubChem CID67413804
Molecular FormulaC10H13F3N4
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC Name4-methyl-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCC[C@H]2C(F)(F)F)nc(N)n1
InChIInChI=1S/C10H13F3N4/c1-6-5-8(16-9(14)15-6)17-4-2-3-7(17)10(11,12)13/h5,7H,2-4H2,1H3,(H2,14,15,16)/t7-/m0/s1
InChIKeyFNQBBCQNDLSVEZ-ZETCQYMHSA-N
XLogP1.90
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 3228743
4-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24994945
4-ethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 42624149
4-[(3R)-3-aminopyrrolidin-1-yl]-6-ethylpyrimidin-2-amine
CID 53258370
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 53378928
2-N-cyclohexyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 46225981
2-N-heptyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 46225986
4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 46226008
4-(fluoromethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 118720435
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 118720437
4-(3-Aminoazetidin-1-yl)-6-methylpyrimidin-2-amine
CID 155533291
4-[3-(Dimethylamino)azetidin-1-yl]-6-methylpyrimidin-2-amine
CID 155565634

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine (CID 67413804) is 4-methyl-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine is Cc1cc(N2CCC[C@H]2C(F)(F)F)nc(N)n1.
What is the InChIKey of 4-methyl-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
The InChIKey is FNQBBCQNDLSVEZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13F3N4/c1-6-5-8(16-9(14)15-6)17-4-2-3-7(17)10(11,12)13/h5,7H,2-4H2,1H3,(H2,14,15,16)/t7-/m0/s1.
What are the key properties of 4-methyl-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
4-methyl-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine has a molecular weight of 246.24 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 67413804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).