6-ethyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-pyridin-4-ylpyrimidin-4-amine

C20H25N7 — CID 133330010

IUPAC6-ethyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-pyridin-4-ylpyrimidin-4-amine
SMILESCCc1cc(NC2CCCN(c3cnn(C)c3)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C20H25N7/c1-3-16-11-19(25-20(24-16)15-6-8-21-9-7-15)23-17-5-4-10-27(13-17)18-12-22-26(2)14-18/h6-9,11-12,14,17H,3-5,10,13H2,1-2H3,(H,23,24,25)
InChIKeyVZLRQDZTUVKWKK-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.92
Rot. Bonds5

About 6-ethyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-pyridin-4-ylpyrimidin-4-amine

6-ethyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 133330010) has the molecular formula C20H25N7 and a molecular weight of 363.47 g/mol. Its IUPAC name is 6-ethyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID133330010
Molecular FormulaC20H25N7
Molecular Weight363.47 g/mol
Exact Mass363.22
IUPAC Name6-ethyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-pyridin-4-ylpyrimidin-4-amine
SMILESCCc1cc(NC2CCCN(c3cnn(C)c3)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C20H25N7/c1-3-16-11-19(25-20(24-16)15-6-8-21-9-7-15)23-17-5-4-10-27(13-17)18-12-22-26(2)14-18/h6-9,11-12,14,17H,3-5,10,13H2,1-2H3,(H,23,24,25)
InChIKeyVZLRQDZTUVKWKK-UHFFFAOYSA-N
XLogP2.92
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-pyridin-4-ylpyrimidin-4-amine (CID 133330010) is 6-ethyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-pyridin-4-ylpyrimidin-4-amine is CCc1cc(NC2CCCN(c3cnn(C)c3)C2)nc(-c2ccncc2)n1.
What is the InChIKey of 6-ethyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is VZLRQDZTUVKWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7/c1-3-16-11-19(25-20(24-16)15-6-8-21-9-7-15)23-17-5-4-10-27(13-17)18-12-22-26(2)14-18/h6-9,11-12,14,17H,3-5,10,13H2,1-2H3,(H,23,24,25).
What are the key properties of 6-ethyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-pyridin-4-ylpyrimidin-4-amine?
6-ethyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 363.47 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 133330010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).