2-[3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol

C16H22N6O — CID 110255483

IUPAC2-[3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol
SMILESCc1cc(Nc2cnccn2)nc(C2CCCN(CCO)C2)n1
InChIInChI=1S/C16H22N6O/c1-12-9-14(20-15-10-17-4-5-18-15)21-16(19-12)13-3-2-6-22(11-13)7-8-23/h4-5,9-10,13,23H,2-3,6-8,11H2,1H3,(H,18,19,20,21)
InChIKeyRDTCGPFBDQITBT-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.49
Rot. Bonds5

About 2-[3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol

2-[3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol (PubChem CID 110255483) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol
PubChem CID110255483
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name2-[3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol
SMILESCc1cc(Nc2cnccn2)nc(C2CCCN(CCO)C2)n1
InChIInChI=1S/C16H22N6O/c1-12-9-14(20-15-10-17-4-5-18-15)21-16(19-12)13-3-2-6-22(11-13)7-8-23/h4-5,9-10,13,23H,2-3,6-8,11H2,1H3,(H,18,19,20,21)
InChIKeyRDTCGPFBDQITBT-UHFFFAOYSA-N
XLogP1.49
TPSA87.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol (CID 110255483) is 2-[3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol is Cc1cc(Nc2cnccn2)nc(C2CCCN(CCO)C2)n1.
What is the InChIKey of 2-[3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol?
The InChIKey is RDTCGPFBDQITBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-12-9-14(20-15-10-17-4-5-18-15)21-16(19-12)13-3-2-6-22(11-13)7-8-23/h4-5,9-10,13,23H,2-3,6-8,11H2,1H3,(H,18,19,20,21).
What are the key properties of 2-[3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol?
2-[3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol has a molecular weight of 314.39 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanol is sourced from PubChem (CID 110255483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).