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

C15H20N6O — CID 110269642

IUPAC2-[3-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanol
SMILESCc1nc(Nc2cnccn2)cc(C2CCN(CCO)C2)n1
InChIInChI=1S/C15H20N6O/c1-11-18-13(12-2-5-21(10-12)6-7-22)8-14(19-11)20-15-9-16-3-4-17-15/h3-4,8-9,12,22H,2,5-7,10H2,1H3,(H,17,18,19,20)
InChIKeyHKHGICYOHFPYLY-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.10
Rot. Bonds5

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

2-[3-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanol (PubChem CID 110269642) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-[3-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanol
PubChem CID110269642
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name2-[3-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanol
SMILESCc1nc(Nc2cnccn2)cc(C2CCN(CCO)C2)n1
InChIInChI=1S/C15H20N6O/c1-11-18-13(12-2-5-21(10-12)6-7-22)8-14(19-11)20-15-9-16-3-4-17-15/h3-4,8-9,12,22H,2,5-7,10H2,1H3,(H,17,18,19,20)
InChIKeyHKHGICYOHFPYLY-UHFFFAOYSA-N
XLogP1.10
TPSA87.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanol?
The IUPAC name of 2-[3-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanol (CID 110269642) is 2-[3-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanol?
The canonical SMILES for 2-[3-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanol is Cc1nc(Nc2cnccn2)cc(C2CCN(CCO)C2)n1.
What is the InChIKey of 2-[3-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanol?
The InChIKey is HKHGICYOHFPYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-11-18-13(12-2-5-21(10-12)6-7-22)8-14(19-11)20-15-9-16-3-4-17-15/h3-4,8-9,12,22H,2,5-7,10H2,1H3,(H,17,18,19,20).
What are the key properties of 2-[3-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanol?
2-[3-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanol has a molecular weight of 300.37 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 110269642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).