2-[(5-nitroso-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethanol

C10H15N5O2 — CID 24880566

IUPAC2-[(5-nitroso-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethanol
SMILESO=Nc1c(NCCO)ncnc1N1CCCC1
InChIInChI=1S/C10H15N5O2/c16-6-3-11-9-8(14-17)10(13-7-12-9)15-4-1-2-5-15/h7,16H,1-6H2,(H,11,12,13)
InChIKeyIMUUCBHDGHBKCX-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.88
Rot. Bonds5

About 2-[(5-nitroso-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethanol

2-[(5-nitroso-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethanol (PubChem CID 24880566) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[(5-nitroso-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-nitroso-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethanol
PubChem CID24880566
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name2-[(5-nitroso-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethanol
SMILESO=Nc1c(NCCO)ncnc1N1CCCC1
InChIInChI=1S/C10H15N5O2/c16-6-3-11-9-8(14-17)10(13-7-12-9)15-4-1-2-5-15/h7,16H,1-6H2,(H,11,12,13)
InChIKeyIMUUCBHDGHBKCX-UHFFFAOYSA-N
XLogP0.88
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-nitroso-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[(5-nitroso-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethanol (CID 24880566) is 2-[(5-nitroso-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(5-nitroso-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(5-nitroso-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethanol is O=Nc1c(NCCO)ncnc1N1CCCC1.
What is the InChIKey of 2-[(5-nitroso-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethanol?
The InChIKey is IMUUCBHDGHBKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c16-6-3-11-9-8(14-17)10(13-7-12-9)15-4-1-2-5-15/h7,16H,1-6H2,(H,11,12,13).
What are the key properties of 2-[(5-nitroso-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethanol?
2-[(5-nitroso-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethanol has a molecular weight of 237.26 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-nitroso-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 24880566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).