2-(3,5-dimethylpyrazol-1-yl)-6-ethyl-N-piperidin-4-ylpyrimidin-4-amine

C16H24N6 — CID 71564132

IUPAC2-(3,5-dimethylpyrazol-1-yl)-6-ethyl-N-piperidin-4-ylpyrimidin-4-amine
SMILESCCc1cc(NC2CCNCC2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C16H24N6/c1-4-13-10-15(18-14-5-7-17-8-6-14)20-16(19-13)22-12(3)9-11(2)21-22/h9-10,14,17H,4-8H2,1-3H3,(H,18,19,20)
InChIKeySKSHSWLBCJYVRN-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.01
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-6-ethyl-N-piperidin-4-ylpyrimidin-4-amine

2-(3,5-dimethylpyrazol-1-yl)-6-ethyl-N-piperidin-4-ylpyrimidin-4-amine (PubChem CID 71564132) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-6-ethyl-N-piperidin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-6-ethyl-N-piperidin-4-ylpyrimidin-4-amine
PubChem CID71564132
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-6-ethyl-N-piperidin-4-ylpyrimidin-4-amine
SMILESCCc1cc(NC2CCNCC2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C16H24N6/c1-4-13-10-15(18-14-5-7-17-8-6-14)20-16(19-13)22-12(3)9-11(2)21-22/h9-10,14,17H,4-8H2,1-3H3,(H,18,19,20)
InChIKeySKSHSWLBCJYVRN-UHFFFAOYSA-N
XLogP2.01
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-6-ethyl-N-piperidin-4-ylpyrimidin-4-amine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-6-ethyl-N-piperidin-4-ylpyrimidin-4-amine (CID 71564132) is 2-(3,5-dimethylpyrazol-1-yl)-6-ethyl-N-piperidin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-6-ethyl-N-piperidin-4-ylpyrimidin-4-amine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-6-ethyl-N-piperidin-4-ylpyrimidin-4-amine is CCc1cc(NC2CCNCC2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-6-ethyl-N-piperidin-4-ylpyrimidin-4-amine?
The InChIKey is SKSHSWLBCJYVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-4-13-10-15(18-14-5-7-17-8-6-14)20-16(19-13)22-12(3)9-11(2)21-22/h9-10,14,17H,4-8H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-6-ethyl-N-piperidin-4-ylpyrimidin-4-amine?
2-(3,5-dimethylpyrazol-1-yl)-6-ethyl-N-piperidin-4-ylpyrimidin-4-amine has a molecular weight of 300.41 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-6-ethyl-N-piperidin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 71564132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).