2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-4-ylpyrimidin-4-amine

C14H20N6 — CID 66509321

IUPAC2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-4-ylpyrimidin-4-amine
SMILESCc1nc(Nc2cc(C)[nH]n2)cc(C2CCNCC2)n1
InChIInChI=1S/C14H20N6/c1-9-7-14(20-19-9)18-13-8-12(16-10(2)17-13)11-3-5-15-6-4-11/h7-8,11,15H,3-6H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyYPAXMGSAQMEMTO-UHFFFAOYSA-N
MW272.36 g/mol
LogP2.03
Rot. Bonds3

About 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-4-ylpyrimidin-4-amine

2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-4-ylpyrimidin-4-amine (PubChem CID 66509321) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-4-ylpyrimidin-4-amine
PubChem CID66509321
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-4-ylpyrimidin-4-amine
SMILESCc1nc(Nc2cc(C)[nH]n2)cc(C2CCNCC2)n1
InChIInChI=1S/C14H20N6/c1-9-7-14(20-19-9)18-13-8-12(16-10(2)17-13)11-3-5-15-6-4-11/h7-8,11,15H,3-6H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyYPAXMGSAQMEMTO-UHFFFAOYSA-N
XLogP2.03
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-4-ylpyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-4-ylpyrimidin-4-amine (CID 66509321) is 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-4-ylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-4-ylpyrimidin-4-amine is Cc1nc(Nc2cc(C)[nH]n2)cc(C2CCNCC2)n1.
What is the InChIKey of 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-4-ylpyrimidin-4-amine?
The InChIKey is YPAXMGSAQMEMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-9-7-14(20-19-9)18-13-8-12(16-10(2)17-13)11-3-5-15-6-4-11/h7-8,11,15H,3-6H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-4-ylpyrimidin-4-amine?
2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-4-ylpyrimidin-4-amine has a molecular weight of 272.36 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 66509321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).