4-piperidin-4-yl-N-pyrazin-2-ylpyrimidin-2-amine;dihydrochloride

C13H18Cl2N6 — CID 171688132

IUPAC4-piperidin-4-yl-N-pyrazin-2-ylpyrimidin-2-amine;dihydrochloride
SMILESCl.Cl.c1cnc(Nc2nccc(C3CCNCC3)n2)cn1
InChIInChI=1S/C13H16N6.2ClH/c1-4-14-5-2-10(1)11-3-6-17-13(18-11)19-12-9-15-7-8-16-12;;/h3,6-10,14H,1-2,4-5H2,(H,16,17,18,19);2*1H
InChIKeyQZFMYQCINXCBPD-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.32
Rot. Bonds3

About 4-piperidin-4-yl-N-pyrazin-2-ylpyrimidin-2-amine;dihydrochloride

4-piperidin-4-yl-N-pyrazin-2-ylpyrimidin-2-amine;dihydrochloride (PubChem CID 171688132) has the molecular formula C13H18Cl2N6 and a molecular weight of 329.24 g/mol. Its IUPAC name is 4-piperidin-4-yl-N-pyrazin-2-ylpyrimidin-2-amine;dihydrochloride.

Molecular Properties

Compound Name4-piperidin-4-yl-N-pyrazin-2-ylpyrimidin-2-amine;dihydrochloride
PubChem CID171688132
Molecular FormulaC13H18Cl2N6
Molecular Weight329.24 g/mol
Exact Mass328.10
IUPAC Name4-piperidin-4-yl-N-pyrazin-2-ylpyrimidin-2-amine;dihydrochloride
SMILESCl.Cl.c1cnc(Nc2nccc(C3CCNCC3)n2)cn1
InChIInChI=1S/C13H16N6.2ClH/c1-4-14-5-2-10(1)11-3-6-17-13(18-11)19-12-9-15-7-8-16-12;;/h3,6-10,14H,1-2,4-5H2,(H,16,17,18,19);2*1H
InChIKeyQZFMYQCINXCBPD-UHFFFAOYSA-N
XLogP2.32
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-piperidin-2-yl-N-pyrazin-2-ylpyrimidin-2-amine
CID 110266729
2-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanol
CID 110094417
N-pyrimidin-2-yl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine
CID 95814825
phenyl-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110094434
N-(4-piperidin-4-ylpyrimidin-2-yl)-1,3-thiazol-2-amine
CID 155982517
1-[3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 118740404
cyclopentyl-[3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 118740278
N-pyrazin-2-yl-4-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-2-amine
CID 95837886
4-[(3S)-pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine
CID 125019200
2-amino-1-[(3S)-3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95842808
4-(azetidin-3-yl)-N-pyrimidin-2-ylpyrimidin-2-amine
CID 110089639
2-(methylamino)-1-[(3S)-3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95842844

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yl-N-pyrazin-2-ylpyrimidin-2-amine;dihydrochloride?
The IUPAC name of 4-piperidin-4-yl-N-pyrazin-2-ylpyrimidin-2-amine;dihydrochloride (CID 171688132) is 4-piperidin-4-yl-N-pyrazin-2-ylpyrimidin-2-amine;dihydrochloride.
What is the SMILES notation for 4-piperidin-4-yl-N-pyrazin-2-ylpyrimidin-2-amine;dihydrochloride?
The canonical SMILES for 4-piperidin-4-yl-N-pyrazin-2-ylpyrimidin-2-amine;dihydrochloride is Cl.Cl.c1cnc(Nc2nccc(C3CCNCC3)n2)cn1.
What is the InChIKey of 4-piperidin-4-yl-N-pyrazin-2-ylpyrimidin-2-amine;dihydrochloride?
The InChIKey is QZFMYQCINXCBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6.2ClH/c1-4-14-5-2-10(1)11-3-6-17-13(18-11)19-12-9-15-7-8-16-12;;/h3,6-10,14H,1-2,4-5H2,(H,16,17,18,19);2*1H.
What are the key properties of 4-piperidin-4-yl-N-pyrazin-2-ylpyrimidin-2-amine;dihydrochloride?
4-piperidin-4-yl-N-pyrazin-2-ylpyrimidin-2-amine;dihydrochloride has a molecular weight of 329.24 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yl-N-pyrazin-2-ylpyrimidin-2-amine;dihydrochloride is sourced from PubChem (CID 171688132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).