6-methyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyridin-2-amine

C15H22N4 — CID 99703943

IUPAC6-methyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyridin-2-amine
SMILESCc1cccc(N[C@@H](C)Cc2c(C)nn(C)c2C)n1
InChIInChI=1S/C15H22N4/c1-10-7-6-8-15(16-10)17-11(2)9-14-12(3)18-19(5)13(14)4/h6-8,11H,9H2,1-5H3,(H,16,17)/t11-/m0/s1
InChIKeyIPIOFXQKAHWYBT-NSHDSACASA-N
MW258.37 g/mol
LogP2.78
Rot. Bonds4

About 6-methyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyridin-2-amine

6-methyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyridin-2-amine (PubChem CID 99703943) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 6-methyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyridin-2-amine
PubChem CID99703943
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name6-methyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyridin-2-amine
SMILESCc1cccc(N[C@@H](C)Cc2c(C)nn(C)c2C)n1
InChIInChI=1S/C15H22N4/c1-10-7-6-8-15(16-10)17-11(2)9-14-12(3)18-19(5)13(14)4/h6-8,11H,9H2,1-5H3,(H,16,17)/t11-/m0/s1
InChIKeyIPIOFXQKAHWYBT-NSHDSACASA-N
XLogP2.78
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyridin-2-amine?
The IUPAC name of 6-methyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyridin-2-amine (CID 99703943) is 6-methyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyridin-2-amine.
What is the SMILES notation for 6-methyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyridin-2-amine?
The canonical SMILES for 6-methyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyridin-2-amine is Cc1cccc(N[C@@H](C)Cc2c(C)nn(C)c2C)n1.
What is the InChIKey of 6-methyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyridin-2-amine?
The InChIKey is IPIOFXQKAHWYBT-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N4/c1-10-7-6-8-15(16-10)17-11(2)9-14-12(3)18-19(5)13(14)4/h6-8,11H,9H2,1-5H3,(H,16,17)/t11-/m0/s1.
What are the key properties of 6-methyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyridin-2-amine?
6-methyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyridin-2-amine has a molecular weight of 258.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyridin-2-amine is sourced from PubChem (CID 99703943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).