(1-methylpyrazol-3-yl)-[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methanone

C15H20N6O — CID 171335788

IUPAC(1-methylpyrazol-3-yl)-[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methanone
SMILESCN(c1ccncn1)C1CCN(C(=O)c2ccn(C)n2)CC1
InChIInChI=1S/C15H20N6O/c1-19-8-6-13(18-19)15(22)21-9-4-12(5-10-21)20(2)14-3-7-16-11-17-14/h3,6-8,11-12H,4-5,9-10H2,1-2H3
InChIKeyKIUMILJXDAVCFU-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.95
Rot. Bonds3

About (1-methylpyrazol-3-yl)-[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methanone

(1-methylpyrazol-3-yl)-[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methanone (PubChem CID 171335788) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methanone
PubChem CID171335788
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name(1-methylpyrazol-3-yl)-[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methanone
SMILESCN(c1ccncn1)C1CCN(C(=O)c2ccn(C)n2)CC1
InChIInChI=1S/C15H20N6O/c1-19-8-6-13(18-19)15(22)21-9-4-12(5-10-21)20(2)14-3-7-16-11-17-14/h3,6-8,11-12H,4-5,9-10H2,1-2H3
InChIKeyKIUMILJXDAVCFU-UHFFFAOYSA-N
XLogP0.95
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methanone?
The IUPAC name of (1-methylpyrazol-3-yl)-[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methanone (CID 171335788) is (1-methylpyrazol-3-yl)-[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-3-yl)-[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrazol-3-yl)-[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methanone is CN(c1ccncn1)C1CCN(C(=O)c2ccn(C)n2)CC1.
What is the InChIKey of (1-methylpyrazol-3-yl)-[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methanone?
The InChIKey is KIUMILJXDAVCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-19-8-6-13(18-19)15(22)21-9-4-12(5-10-21)20(2)14-3-7-16-11-17-14/h3,6-8,11-12H,4-5,9-10H2,1-2H3.
What are the key properties of (1-methylpyrazol-3-yl)-[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methanone?
(1-methylpyrazol-3-yl)-[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methanone has a molecular weight of 300.37 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)-[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 171335788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).