2-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol

C16H22N6O2 — CID 110256881

IUPAC2-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol
SMILESOCC(CO)N1CCCC(c2cnc(Nc3ncccn3)cn2)C1
InChIInChI=1S/C16H22N6O2/c23-10-13(11-24)22-6-1-3-12(9-22)14-7-20-15(8-19-14)21-16-17-4-2-5-18-16/h2,4-5,7-8,12-13,23-24H,1,3,6,9-11H2,(H,17,18,20,21)
InChIKeyOWHQRNOPBBGNOW-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.54
Rot. Bonds6

About 2-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol

2-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol (PubChem CID 110256881) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol.

Molecular Properties

Compound Name2-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol
PubChem CID110256881
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name2-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol
SMILESOCC(CO)N1CCCC(c2cnc(Nc3ncccn3)cn2)C1
InChIInChI=1S/C16H22N6O2/c23-10-13(11-24)22-6-1-3-12(9-22)14-7-20-15(8-19-14)21-16-17-4-2-5-18-16/h2,4-5,7-8,12-13,23-24H,1,3,6,9-11H2,(H,17,18,20,21)
InChIKeyOWHQRNOPBBGNOW-UHFFFAOYSA-N
XLogP0.54
TPSA107.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol
CID 110256882
5-(1-propan-2-ylpiperidin-3-yl)-N-pyrimidin-2-ylpyrazin-2-amine
CID 110256171
2-methoxy-1-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110256403
5-(1-ethylpiperidin-3-yl)-N-pyridin-2-ylpyrazin-2-amine
CID 110256139
1-[(3R)-3-[5-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95822420
1-[(3S)-3-[5-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95822419
2-[(3R)-3-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propane-1,3-diol
CID 95844663
2-[2-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propane-1,3-diol
CID 110256879
1-[(3S)-3-[5-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95822423
2-[(3S)-3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]acetamide
CID 95821179
1-[(3S)-3-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95835868
1-[3-[5-(1,3-thiazol-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110256203

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol?
The IUPAC name of 2-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol (CID 110256881) is 2-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol.
What is the SMILES notation for 2-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol?
The canonical SMILES for 2-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol is OCC(CO)N1CCCC(c2cnc(Nc3ncccn3)cn2)C1.
What is the InChIKey of 2-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol?
The InChIKey is OWHQRNOPBBGNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c23-10-13(11-24)22-6-1-3-12(9-22)14-7-20-15(8-19-14)21-16-17-4-2-5-18-16/h2,4-5,7-8,12-13,23-24H,1,3,6,9-11H2,(H,17,18,20,21).
What are the key properties of 2-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol?
2-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol has a molecular weight of 330.39 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol is sourced from PubChem (CID 110256881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).