2-[4-[6-[(5-aminopyrimidin-2-yl)amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol

C15H22N8O — CID 58748698

IUPAC2-[4-[6-[(5-aminopyrimidin-2-yl)amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESCc1nc(Nc2ncc(N)cn2)cc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C15H22N8O/c1-11-19-13(21-15-17-9-12(16)10-18-15)8-14(20-11)23-4-2-22(3-5-23)6-7-24/h8-10,24H,2-7,16H2,1H3,(H,17,18,19,20,21)
InChIKeyJERSYVKHQPZOPS-UHFFFAOYSA-N
MW330.40 g/mol
LogP0.02
Rot. Bonds5

About 2-[4-[6-[(5-aminopyrimidin-2-yl)amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol

2-[4-[6-[(5-aminopyrimidin-2-yl)amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 58748698) has the molecular formula C15H22N8O and a molecular weight of 330.40 g/mol. Its IUPAC name is 2-[4-[6-[(5-aminopyrimidin-2-yl)amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[6-[(5-aminopyrimidin-2-yl)amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol
PubChem CID58748698
Molecular FormulaC15H22N8O
Molecular Weight330.40 g/mol
Exact Mass330.19
IUPAC Name2-[4-[6-[(5-aminopyrimidin-2-yl)amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESCc1nc(Nc2ncc(N)cn2)cc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C15H22N8O/c1-11-19-13(21-15-17-9-12(16)10-18-15)8-14(20-11)23-4-2-22(3-5-23)6-7-24/h8-10,24H,2-7,16H2,1H3,(H,17,18,19,20,21)
InChIKeyJERSYVKHQPZOPS-UHFFFAOYSA-N
XLogP0.02
TPSA116.32 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[(5-aminopyrimidin-2-yl)amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[6-[(5-aminopyrimidin-2-yl)amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol (CID 58748698) is 2-[4-[6-[(5-aminopyrimidin-2-yl)amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[6-[(5-aminopyrimidin-2-yl)amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[6-[(5-aminopyrimidin-2-yl)amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol is Cc1nc(Nc2ncc(N)cn2)cc(N2CCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-[6-[(5-aminopyrimidin-2-yl)amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is JERSYVKHQPZOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N8O/c1-11-19-13(21-15-17-9-12(16)10-18-15)8-14(20-11)23-4-2-22(3-5-23)6-7-24/h8-10,24H,2-7,16H2,1H3,(H,17,18,19,20,21).
What are the key properties of 2-[4-[6-[(5-aminopyrimidin-2-yl)amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol?
2-[4-[6-[(5-aminopyrimidin-2-yl)amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 330.40 g/mol, XLogP of 0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[(5-aminopyrimidin-2-yl)amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 58748698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).