N-(1,5-dimethylpyrazol-4-yl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine

C14H17F3N6 — CID 69085483

IUPACN-(1,5-dimethylpyrazol-4-yl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1c(Nc2ncc(C(F)(F)F)c(N3CCCC3)n2)cnn1C
InChIInChI=1S/C14H17F3N6/c1-9-11(8-19-22(9)2)20-13-18-7-10(14(15,16)17)12(21-13)23-5-3-4-6-23/h7-8H,3-6H2,1-2H3,(H,18,20,21)
InChIKeyAURRWRJLWWRZBB-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.88
Rot. Bonds3

About N-(1,5-dimethylpyrazol-4-yl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine

N-(1,5-dimethylpyrazol-4-yl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 69085483) has the molecular formula C14H17F3N6 and a molecular weight of 326.33 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-4-yl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-4-yl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID69085483
Molecular FormulaC14H17F3N6
Molecular Weight326.33 g/mol
Exact Mass326.15
IUPAC NameN-(1,5-dimethylpyrazol-4-yl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1c(Nc2ncc(C(F)(F)F)c(N3CCCC3)n2)cnn1C
InChIInChI=1S/C14H17F3N6/c1-9-11(8-19-22(9)2)20-13-18-7-10(14(15,16)17)12(21-13)23-5-3-4-6-23/h7-8H,3-6H2,1-2H3,(H,18,20,21)
InChIKeyAURRWRJLWWRZBB-UHFFFAOYSA-N
XLogP2.88
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Dnl-201
CID 69093374
2-Methyl-2-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 69092949
3-[3-Methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 67814206
2-Methyl-1-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propan-2-ol
CID 67817055
3-[5-Methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 67818467
2-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 67988921
2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-N-propan-2-ylpropanamide
CID 69081779
2-N-[1-(2-methoxyethyl)-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69081998
N-ethyl-2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide
CID 69083959
2-N-[1-(2-methoxyethyl)-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69085771
4-N-methyl-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093006
4-N-methyl-2-N-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093113

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine (CID 69085483) is N-(1,5-dimethylpyrazol-4-yl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(1,5-dimethylpyrazol-4-yl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(1,5-dimethylpyrazol-4-yl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine is Cc1c(Nc2ncc(C(F)(F)F)c(N3CCCC3)n2)cnn1C.
What is the InChIKey of N-(1,5-dimethylpyrazol-4-yl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is AURRWRJLWWRZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6/c1-9-11(8-19-22(9)2)20-13-18-7-10(14(15,16)17)12(21-13)23-5-3-4-6-23/h7-8H,3-6H2,1-2H3,(H,18,20,21).
What are the key properties of N-(1,5-dimethylpyrazol-4-yl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine?
N-(1,5-dimethylpyrazol-4-yl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 326.33 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-4-yl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 69085483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).