5-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine

C18H20N8 — CID 124945589

IUPAC5-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine
SMILESCc1nccc(N2CCC[C@H](c3cnc(Nc4cnccn4)cn3)C2)n1
InChIInChI=1S/C18H20N8/c1-13-20-5-4-18(24-13)26-8-2-3-14(12-26)15-9-23-17(11-22-15)25-16-10-19-6-7-21-16/h4-7,9-11,14H,2-3,8,12H2,1H3,(H,21,23,25)/t14-/m0/s1
InChIKeyBSCQOCZBEHCLKR-AWEZNQCLSA-N
MW348.41 g/mol
LogP2.49
Rot. Bonds4

About 5-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine

5-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine (PubChem CID 124945589) has the molecular formula C18H20N8 and a molecular weight of 348.41 g/mol. Its IUPAC name is 5-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine.

Molecular Properties

Compound Name5-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine
PubChem CID124945589
Molecular FormulaC18H20N8
Molecular Weight348.41 g/mol
Exact Mass348.18
IUPAC Name5-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine
SMILESCc1nccc(N2CCC[C@H](c3cnc(Nc4cnccn4)cn3)C2)n1
InChIInChI=1S/C18H20N8/c1-13-20-5-4-18(24-13)26-8-2-3-14(12-26)15-9-23-17(11-22-15)25-16-10-19-6-7-21-16/h4-7,9-11,14H,2-3,8,12H2,1H3,(H,21,23,25)/t14-/m0/s1
InChIKeyBSCQOCZBEHCLKR-AWEZNQCLSA-N
XLogP2.49
TPSA92.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine?
The IUPAC name of 5-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine (CID 124945589) is 5-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine.
What is the SMILES notation for 5-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine?
The canonical SMILES for 5-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine is Cc1nccc(N2CCC[C@H](c3cnc(Nc4cnccn4)cn3)C2)n1.
What is the InChIKey of 5-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine?
The InChIKey is BSCQOCZBEHCLKR-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N8/c1-13-20-5-4-18(24-13)26-8-2-3-14(12-26)15-9-23-17(11-22-15)25-16-10-19-6-7-21-16/h4-7,9-11,14H,2-3,8,12H2,1H3,(H,21,23,25)/t14-/m0/s1.
What are the key properties of 5-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine?
5-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine has a molecular weight of 348.41 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine is sourced from PubChem (CID 124945589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).