2-[methyl-[5-(1H-pyrrol-2-yl)pyrimidin-2-yl]amino]ethanol

C11H14N4O — CID 116977677

IUPAC2-[methyl-[5-(1H-pyrrol-2-yl)pyrimidin-2-yl]amino]ethanol
SMILESCN(CCO)c1ncc(-c2ccc[nH]2)cn1
InChIInChI=1S/C11H14N4O/c1-15(5-6-16)11-13-7-9(8-14-11)10-3-2-4-12-10/h2-4,7-8,12,16H,5-6H2,1H3
InChIKeyJNOKCNSRGRMRBD-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.90
Rot. Bonds4

About 2-[methyl-[5-(1H-pyrrol-2-yl)pyrimidin-2-yl]amino]ethanol

2-[methyl-[5-(1H-pyrrol-2-yl)pyrimidin-2-yl]amino]ethanol (PubChem CID 116977677) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[methyl-[5-(1H-pyrrol-2-yl)pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[5-(1H-pyrrol-2-yl)pyrimidin-2-yl]amino]ethanol
PubChem CID116977677
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-[methyl-[5-(1H-pyrrol-2-yl)pyrimidin-2-yl]amino]ethanol
SMILESCN(CCO)c1ncc(-c2ccc[nH]2)cn1
InChIInChI=1S/C11H14N4O/c1-15(5-6-16)11-13-7-9(8-14-11)10-3-2-4-12-10/h2-4,7-8,12,16H,5-6H2,1H3
InChIKeyJNOKCNSRGRMRBD-UHFFFAOYSA-N
XLogP0.90
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[5-(1H-pyrrol-2-yl)pyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[methyl-[5-(1H-pyrrol-2-yl)pyrimidin-2-yl]amino]ethanol (CID 116977677) is 2-[methyl-[5-(1H-pyrrol-2-yl)pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[5-(1H-pyrrol-2-yl)pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[methyl-[5-(1H-pyrrol-2-yl)pyrimidin-2-yl]amino]ethanol is CN(CCO)c1ncc(-c2ccc[nH]2)cn1.
What is the InChIKey of 2-[methyl-[5-(1H-pyrrol-2-yl)pyrimidin-2-yl]amino]ethanol?
The InChIKey is JNOKCNSRGRMRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-15(5-6-16)11-13-7-9(8-14-11)10-3-2-4-12-10/h2-4,7-8,12,16H,5-6H2,1H3.
What are the key properties of 2-[methyl-[5-(1H-pyrrol-2-yl)pyrimidin-2-yl]amino]ethanol?
2-[methyl-[5-(1H-pyrrol-2-yl)pyrimidin-2-yl]amino]ethanol has a molecular weight of 218.26 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[5-(1H-pyrrol-2-yl)pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 116977677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).