3-piperidin-3-yl-N-pyrimidin-2-ylpyrazin-2-amine

C13H16N6 — CID 175661062

IUPAC3-piperidin-3-yl-N-pyrimidin-2-ylpyrazin-2-amine
SMILESc1cnc(Nc2nccnc2C2CCCNC2)nc1
InChIInChI=1S/C13H16N6/c1-3-10(9-14-4-1)11-12(16-8-7-15-11)19-13-17-5-2-6-18-13/h2,5-8,10,14H,1,3-4,9H2,(H,16,17,18,19)
InChIKeyGEFLOFPGJZTYHK-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.48
Rot. Bonds3

About 3-piperidin-3-yl-N-pyrimidin-2-ylpyrazin-2-amine

3-piperidin-3-yl-N-pyrimidin-2-ylpyrazin-2-amine (PubChem CID 175661062) has the molecular formula C13H16N6 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-piperidin-3-yl-N-pyrimidin-2-ylpyrazin-2-amine.

Molecular Properties

Compound Name3-piperidin-3-yl-N-pyrimidin-2-ylpyrazin-2-amine
PubChem CID175661062
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC Name3-piperidin-3-yl-N-pyrimidin-2-ylpyrazin-2-amine
SMILESc1cnc(Nc2nccnc2C2CCCNC2)nc1
InChIInChI=1S/C13H16N6/c1-3-10(9-14-4-1)11-12(16-8-7-15-11)19-13-17-5-2-6-18-13/h2,5-8,10,14H,1,3-4,9H2,(H,16,17,18,19)
InChIKeyGEFLOFPGJZTYHK-UHFFFAOYSA-N
XLogP1.48
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-piperidin-4-yl-N-pyrimidin-2-ylpyrazin-2-amine
CID 175662251
4-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-2-amine
CID 125011656
N-[6-[(3R)-piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 125009516
2-[(3R)-piperidin-3-yl]pyrimidine
CID 86328129
6-methyl-2-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
CID 125027098
1-piperidin-3-ylisoquinoline
CID 84782419
2-(2-fluorophenyl)-3-[(3R)-piperidin-3-yl]pyrazine
CID 95816643
3-methyl-N-(4-piperidin-3-yl-2-pyridinyl)pyridin-2-amine
CID 175661172
1-[(3S)-3-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 124959791
2-(2-methoxyphenyl)-3-[(3S)-piperidin-3-yl]pyrazine
CID 95816648
N-pyrimidin-2-yl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine
CID 95814825
N-piperidin-3-ylpyridin-2-amine
CID 63321128

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-N-pyrimidin-2-ylpyrazin-2-amine?
The IUPAC name of 3-piperidin-3-yl-N-pyrimidin-2-ylpyrazin-2-amine (CID 175661062) is 3-piperidin-3-yl-N-pyrimidin-2-ylpyrazin-2-amine.
What is the SMILES notation for 3-piperidin-3-yl-N-pyrimidin-2-ylpyrazin-2-amine?
The canonical SMILES for 3-piperidin-3-yl-N-pyrimidin-2-ylpyrazin-2-amine is c1cnc(Nc2nccnc2C2CCCNC2)nc1.
What is the InChIKey of 3-piperidin-3-yl-N-pyrimidin-2-ylpyrazin-2-amine?
The InChIKey is GEFLOFPGJZTYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6/c1-3-10(9-14-4-1)11-12(16-8-7-15-11)19-13-17-5-2-6-18-13/h2,5-8,10,14H,1,3-4,9H2,(H,16,17,18,19).
What are the key properties of 3-piperidin-3-yl-N-pyrimidin-2-ylpyrazin-2-amine?
3-piperidin-3-yl-N-pyrimidin-2-ylpyrazin-2-amine has a molecular weight of 256.31 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-N-pyrimidin-2-ylpyrazin-2-amine is sourced from PubChem (CID 175661062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).