N-[(2S)-5-(5-amino-1,3-dimethylpyrazol-4-yl)pentan-2-yl]-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine

C16H23F3N6 — CID 170591923

IUPACN-[(2S)-5-(5-amino-1,3-dimethylpyrazol-4-yl)pentan-2-yl]-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ncc(C(F)(F)F)c(N[C@@H](C)CCCc2c(C)nn(C)c2N)n1
InChIInChI=1S/C16H23F3N6/c1-9(6-5-7-12-10(2)24-25(4)14(12)20)22-15-13(16(17,18)19)8-21-11(3)23-15/h8-9H,5-7,20H2,1-4H3,(H,21,22,23)/t9-/m0/s1
InChIKeyNUZLCOCSIHQIMU-VIFPVBQESA-N
MW356.40 g/mol
LogP3.25
Rot. Bonds6

About N-[(2S)-5-(5-amino-1,3-dimethylpyrazol-4-yl)pentan-2-yl]-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine

N-[(2S)-5-(5-amino-1,3-dimethylpyrazol-4-yl)pentan-2-yl]-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 170591923) has the molecular formula C16H23F3N6 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[(2S)-5-(5-amino-1,3-dimethylpyrazol-4-yl)pentan-2-yl]-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2S)-5-(5-amino-1,3-dimethylpyrazol-4-yl)pentan-2-yl]-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine
PubChem CID170591923
Molecular FormulaC16H23F3N6
Molecular Weight356.40 g/mol
Exact Mass356.19
IUPAC NameN-[(2S)-5-(5-amino-1,3-dimethylpyrazol-4-yl)pentan-2-yl]-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ncc(C(F)(F)F)c(N[C@@H](C)CCCc2c(C)nn(C)c2N)n1
InChIInChI=1S/C16H23F3N6/c1-9(6-5-7-12-10(2)24-25(4)14(12)20)22-15-13(16(17,18)19)8-21-11(3)23-15/h8-9H,5-7,20H2,1-4H3,(H,21,22,23)/t9-/m0/s1
InChIKeyNUZLCOCSIHQIMU-VIFPVBQESA-N
XLogP3.25
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-5-(5-amino-1,3-dimethylpyrazol-4-yl)pentan-2-yl]-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine with MolForge

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Related Compounds

Ametoctradin
CID 15604010
2-[5-[[4-(Ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-methylpyrazol-3-yl]-2-methylpropanenitrile
CID 72191820
4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine
CID 135260428
2-(5-amino-4-cyclohexyl-3-ethylpyrazol-1-yl)-5-fluoro-N-propan-2-ylpyrimidin-4-amine
CID 91800715
N-methyl-1-(piperidin-3-ylmethyl)-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine
CID 68212528
N-methyl-1-(piperidin-4-ylmethyl)-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine
CID 70681768
4-N-butyl-6-methyl-5-[3-(1,2,4-triazol-1-yl)propyl]pyrimidine-2,4-diamine
CID 135271031
2-Methyl-2-[1-methyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-3-yl]propanenitrile
CID 72191821
US9932325, Example 118
CID 132244669
US9932325, Example 34
CID 132244687
US9932325, Example 70
CID 132244689
US9932325, Example 71
CID 132244690

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-(5-amino-1,3-dimethylpyrazol-4-yl)pentan-2-yl]-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[(2S)-5-(5-amino-1,3-dimethylpyrazol-4-yl)pentan-2-yl]-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine (CID 170591923) is N-[(2S)-5-(5-amino-1,3-dimethylpyrazol-4-yl)pentan-2-yl]-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[(2S)-5-(5-amino-1,3-dimethylpyrazol-4-yl)pentan-2-yl]-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[(2S)-5-(5-amino-1,3-dimethylpyrazol-4-yl)pentan-2-yl]-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine is Cc1ncc(C(F)(F)F)c(N[C@@H](C)CCCc2c(C)nn(C)c2N)n1.
What is the InChIKey of N-[(2S)-5-(5-amino-1,3-dimethylpyrazol-4-yl)pentan-2-yl]-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is NUZLCOCSIHQIMU-VIFPVBQESA-N. The full InChI is InChI=1S/C16H23F3N6/c1-9(6-5-7-12-10(2)24-25(4)14(12)20)22-15-13(16(17,18)19)8-21-11(3)23-15/h8-9H,5-7,20H2,1-4H3,(H,21,22,23)/t9-/m0/s1.
What are the key properties of N-[(2S)-5-(5-amino-1,3-dimethylpyrazol-4-yl)pentan-2-yl]-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine?
N-[(2S)-5-(5-amino-1,3-dimethylpyrazol-4-yl)pentan-2-yl]-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 356.40 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5-(5-amino-1,3-dimethylpyrazol-4-yl)pentan-2-yl]-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 170591923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).