6-pyrazol-1-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazin-2-amine

C16H18N8 — CID 94032550

IUPAC6-pyrazol-1-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazin-2-amine
SMILESc1cnc(N2CCC[C@@H](Nc3cncc(-n4cccn4)n3)C2)nc1
InChIInChI=1S/C16H18N8/c1-4-13(12-23(8-1)16-18-5-2-6-19-16)21-14-10-17-11-15(22-14)24-9-3-7-20-24/h2-3,5-7,9-11,13H,1,4,8,12H2,(H,21,22)/t13-/m1/s1
InChIKeyJUNUTOYOFRDAKT-CYBMUJFWSA-N
MW322.38 g/mol
LogP1.53
Rot. Bonds4

About 6-pyrazol-1-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazin-2-amine

6-pyrazol-1-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazin-2-amine (PubChem CID 94032550) has the molecular formula C16H18N8 and a molecular weight of 322.38 g/mol. Its IUPAC name is 6-pyrazol-1-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazin-2-amine.

Molecular Properties

Compound Name6-pyrazol-1-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazin-2-amine
PubChem CID94032550
Molecular FormulaC16H18N8
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name6-pyrazol-1-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazin-2-amine
SMILESc1cnc(N2CCC[C@@H](Nc3cncc(-n4cccn4)n3)C2)nc1
InChIInChI=1S/C16H18N8/c1-4-13(12-23(8-1)16-18-5-2-6-19-16)21-14-10-17-11-15(22-14)24-9-3-7-20-24/h2-3,5-7,9-11,13H,1,4,8,12H2,(H,21,22)/t13-/m1/s1
InChIKeyJUNUTOYOFRDAKT-CYBMUJFWSA-N
XLogP1.53
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-pyrazol-1-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazin-2-amine?
The IUPAC name of 6-pyrazol-1-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazin-2-amine (CID 94032550) is 6-pyrazol-1-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazin-2-amine.
What is the SMILES notation for 6-pyrazol-1-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazin-2-amine?
The canonical SMILES for 6-pyrazol-1-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazin-2-amine is c1cnc(N2CCC[C@@H](Nc3cncc(-n4cccn4)n3)C2)nc1.
What is the InChIKey of 6-pyrazol-1-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazin-2-amine?
The InChIKey is JUNUTOYOFRDAKT-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18N8/c1-4-13(12-23(8-1)16-18-5-2-6-19-16)21-14-10-17-11-15(22-14)24-9-3-7-20-24/h2-3,5-7,9-11,13H,1,4,8,12H2,(H,21,22)/t13-/m1/s1.
What are the key properties of 6-pyrazol-1-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazin-2-amine?
6-pyrazol-1-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazin-2-amine has a molecular weight of 322.38 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrazol-1-yl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazin-2-amine is sourced from PubChem (CID 94032550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).