3-piperidin-4-yl-N-pyrimidin-2-ylpyrazin-2-amine

C13H16N6 — CID 175662251

IUPAC3-piperidin-4-yl-N-pyrimidin-2-ylpyrazin-2-amine
SMILESc1cnc(Nc2nccnc2C2CCNCC2)nc1
InChIInChI=1S/C13H16N6/c1-4-17-13(18-5-1)19-12-11(15-8-9-16-12)10-2-6-14-7-3-10/h1,4-5,8-10,14H,2-3,6-7H2,(H,16,17,18,19)
InChIKeyBHDYRMWJQNUAKU-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.48
Rot. Bonds3

About 3-piperidin-4-yl-N-pyrimidin-2-ylpyrazin-2-amine

3-piperidin-4-yl-N-pyrimidin-2-ylpyrazin-2-amine (PubChem CID 175662251) has the molecular formula C13H16N6 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-piperidin-4-yl-N-pyrimidin-2-ylpyrazin-2-amine.

Molecular Properties

Compound Name3-piperidin-4-yl-N-pyrimidin-2-ylpyrazin-2-amine
PubChem CID175662251
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC Name3-piperidin-4-yl-N-pyrimidin-2-ylpyrazin-2-amine
SMILESc1cnc(Nc2nccnc2C2CCNCC2)nc1
InChIInChI=1S/C13H16N6/c1-4-17-13(18-5-1)19-12-11(15-8-9-16-12)10-2-6-14-7-3-10/h1,4-5,8-10,14H,2-3,6-7H2,(H,16,17,18,19)
InChIKeyBHDYRMWJQNUAKU-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-3-yl-N-pyrimidin-2-ylpyrazin-2-amine
CID 175661062
N-cyclopentyl-3-piperidin-4-ylpyrazin-2-amine
CID 95846267
N-pyrimidin-2-yl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine
CID 95814825
1-[(3S)-3-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 124959791
1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine
CID 66509747
2-(1H-imidazol-2-yl)-3-piperidin-4-ylpyrazine
CID 110099974
2-[(2-methyl-3-pyridinyl)oxy]-3-piperidin-4-ylpyrazine;dihydrochloride
CID 171688156
2-methyl-N-pyrimidin-2-yl-6-pyrrolidin-3-ylpyrimidin-4-amine
CID 110095196
1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine;dihydrochloride
CID 71298711
2-methyl-4-piperidin-4-yl-5-pyridin-2-yl-1,3-thiazole
CID 141070519
4-piperazin-1-yl-N-pyrimidin-2-yl-1,2,5-thiadiazol-3-amine;hydrochloride
CID 175605799
5-fluoro-N-phenyl-4-piperidin-4-ylpyrimidin-2-amine
CID 162748564

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-N-pyrimidin-2-ylpyrazin-2-amine?
The IUPAC name of 3-piperidin-4-yl-N-pyrimidin-2-ylpyrazin-2-amine (CID 175662251) is 3-piperidin-4-yl-N-pyrimidin-2-ylpyrazin-2-amine.
What is the SMILES notation for 3-piperidin-4-yl-N-pyrimidin-2-ylpyrazin-2-amine?
The canonical SMILES for 3-piperidin-4-yl-N-pyrimidin-2-ylpyrazin-2-amine is c1cnc(Nc2nccnc2C2CCNCC2)nc1.
What is the InChIKey of 3-piperidin-4-yl-N-pyrimidin-2-ylpyrazin-2-amine?
The InChIKey is BHDYRMWJQNUAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6/c1-4-17-13(18-5-1)19-12-11(15-8-9-16-12)10-2-6-14-7-3-10/h1,4-5,8-10,14H,2-3,6-7H2,(H,16,17,18,19).
What are the key properties of 3-piperidin-4-yl-N-pyrimidin-2-ylpyrazin-2-amine?
3-piperidin-4-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-4-yl-N-pyrimidin-2-ylpyrazin-2-amine is sourced from PubChem (CID 175662251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).