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

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

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Related Compounds

N-methyl-6-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyridin-2-amine
CID 95824516
5-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine
CID 124973900
1-[(3S)-3-[5-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95822423
N-pyrazin-2-yl-6-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazin-2-amine
CID 110094062
N-methyl-6-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]pyrazin-2-amine
CID 95840808
2-methyl-4-[(3R)-3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]pyrimidine
CID 95829198
N-methyl-6-(1-pyrazin-2-ylpiperidin-3-yl)pyridin-2-amine
CID 110269026
2-(2-ethylimidazol-1-yl)-6-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrazine
CID 95815880
2-(2-ethylimidazol-1-yl)-6-[(3S)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrazine
CID 95815881
5-[(3S)-piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine
CID 124969984
N-[6-(1-pyrazin-2-ylpiperidin-3-yl)-2-pyridinyl]pyrimidin-2-amine
CID 110269836
5-(1-ethylpiperidin-3-yl)-N-pyridin-2-ylpyrazin-2-amine
CID 110256139

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).