1-[3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone

C17H24N6O — CID 110095508

IUPAC1-[3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(Cc2cc(Nc3cc(C)[nH]n3)nc(C)n2)C1
InChIInChI=1S/C17H24N6O/c1-11-7-17(22-21-11)20-16-9-15(18-12(2)19-16)8-14-5-4-6-23(10-14)13(3)24/h7,9,14H,4-6,8,10H2,1-3H3,(H2,18,19,20,21,22)
InChIKeyAECPSNFDLZLTLI-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.36
Rot. Bonds4

About 1-[3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone

1-[3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone (PubChem CID 110095508) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
PubChem CID110095508
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name1-[3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(Cc2cc(Nc3cc(C)[nH]n3)nc(C)n2)C1
InChIInChI=1S/C17H24N6O/c1-11-7-17(22-21-11)20-16-9-15(18-12(2)19-16)8-14-5-4-6-23(10-14)13(3)24/h7,9,14H,4-6,8,10H2,1-3H3,(H2,18,19,20,21,22)
InChIKeyAECPSNFDLZLTLI-UHFFFAOYSA-N
XLogP2.36
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone (CID 110095508) is 1-[3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCCC(Cc2cc(Nc3cc(C)[nH]n3)nc(C)n2)C1.
What is the InChIKey of 1-[3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone?
The InChIKey is AECPSNFDLZLTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-11-7-17(22-21-11)20-16-9-15(18-12(2)19-16)8-14-5-4-6-23(10-14)13(3)24/h7,9,14H,4-6,8,10H2,1-3H3,(H2,18,19,20,21,22).
What are the key properties of 1-[3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone?
1-[3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone has a molecular weight of 328.42 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110095508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).