5-methyl-2-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine

C12H14F3N5 — CID 80989495

IUPAC5-methyl-2-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1-n1cc(C(F)(F)F)cn1
InChIInChI=1S/C12H14F3N5/c1-6(2)10-18-9(16)7(3)11(19-10)20-5-8(4-17-20)12(13,14)15/h4-6H,1-3H3,(H2,16,18,19)
InChIKeyGEZGCHUEKOSUDY-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.70
Rot. Bonds2

About 5-methyl-2-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine

5-methyl-2-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine (PubChem CID 80989495) has the molecular formula C12H14F3N5 and a molecular weight of 285.27 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
PubChem CID80989495
Molecular FormulaC12H14F3N5
Molecular Weight285.27 g/mol
Exact Mass285.12
IUPAC Name5-methyl-2-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1-n1cc(C(F)(F)F)cn1
InChIInChI=1S/C12H14F3N5/c1-6(2)10-18-9(16)7(3)11(19-10)20-5-8(4-17-20)12(13,14)15/h4-6H,1-3H3,(H2,16,18,19)
InChIKeyGEZGCHUEKOSUDY-UHFFFAOYSA-N
XLogP2.70
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-methyl-2-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 80978782
3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-amine
CID 102988586
5-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 80982123
1-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3,4-diol
CID 106674605
5-bromo-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 80868730
(1R)-1-[2-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanamine
CID 114056524
5-methyl-6-piperazin-1-yl-2-propan-2-ylpyrimidin-4-amine
CID 80983579
N,5-dimethyl-2-propyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 80989270
ethane;4-[4-(trifluoromethyl)pyrazol-1-yl]aniline
CID 145417662
5-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid
CID 80631790
6-(4-tert-butylpiperidin-1-yl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80984837
5-methyl-6-(4-methylpyrazol-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80992723

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
The IUPAC name of 5-methyl-2-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine (CID 80989495) is 5-methyl-2-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-2-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
The canonical SMILES for 5-methyl-2-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine is Cc1c(N)nc(C(C)C)nc1-n1cc(C(F)(F)F)cn1.
What is the InChIKey of 5-methyl-2-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
The InChIKey is GEZGCHUEKOSUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5/c1-6(2)10-18-9(16)7(3)11(19-10)20-5-8(4-17-20)12(13,14)15/h4-6H,1-3H3,(H2,16,18,19).
What are the key properties of 5-methyl-2-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
5-methyl-2-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine has a molecular weight of 285.27 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 80989495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).