2-[(6-chloro-5-pyrrol-1-ylpyrimidin-4-yl)-methylamino]ethanol

C11H13ClN4O — CID 102402729

IUPAC2-[(6-chloro-5-pyrrol-1-ylpyrimidin-4-yl)-methylamino]ethanol
SMILESCN(CCO)c1ncnc(Cl)c1-n1cccc1
InChIInChI=1S/C11H13ClN4O/c1-15(6-7-17)11-9(10(12)13-8-14-11)16-4-2-3-5-16/h2-5,8,17H,6-7H2,1H3
InChIKeyIIFMSHXXLADOKA-UHFFFAOYSA-N
MW252.71 g/mol
LogP1.35
Rot. Bonds4

About 2-[(6-chloro-5-pyrrol-1-ylpyrimidin-4-yl)-methylamino]ethanol

2-[(6-chloro-5-pyrrol-1-ylpyrimidin-4-yl)-methylamino]ethanol (PubChem CID 102402729) has the molecular formula C11H13ClN4O and a molecular weight of 252.71 g/mol. Its IUPAC name is 2-[(6-chloro-5-pyrrol-1-ylpyrimidin-4-yl)-methylamino]ethanol.

Molecular Properties

Compound Name2-[(6-chloro-5-pyrrol-1-ylpyrimidin-4-yl)-methylamino]ethanol
PubChem CID102402729
Molecular FormulaC11H13ClN4O
Molecular Weight252.71 g/mol
Exact Mass252.08
IUPAC Name2-[(6-chloro-5-pyrrol-1-ylpyrimidin-4-yl)-methylamino]ethanol
SMILESCN(CCO)c1ncnc(Cl)c1-n1cccc1
InChIInChI=1S/C11H13ClN4O/c1-15(6-7-17)11-9(10(12)13-8-14-11)16-4-2-3-5-16/h2-5,8,17H,6-7H2,1H3
InChIKeyIIFMSHXXLADOKA-UHFFFAOYSA-N
XLogP1.35
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-chloro-5-pyrrol-1-ylpyrimidin-4-yl)oxypropan-2-one
CID 121223591
2-[(3-chloro-2-pyridinyl)-methylamino]ethanol
CID 10241546
6-chloro-4-N-methyl-4-N-propylpyrimidine-4,5-diamine
CID 63024110
2-[methyl-(3,5,6-trichloropyrazin-2-yl)amino]ethanol
CID 21429941
2-[(6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 63729146
5-bromo-6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carboxylic acid
CID 83845233
2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]ethanol
CID 80771706
2-[[6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]ethanol
CID 80771507
2-[[5-chloro-2-[2-hydroxyethyl(methyl)amino]pyrimidin-4-yl]-methylamino]ethanol
CID 133381559
2-[(6-chloro-5-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 55229696
6-chloro-N-methyl-5-nitro-N-propylpyrimidin-4-amine
CID 62102659
N'-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 55231244

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-5-pyrrol-1-ylpyrimidin-4-yl)-methylamino]ethanol?
The IUPAC name of 2-[(6-chloro-5-pyrrol-1-ylpyrimidin-4-yl)-methylamino]ethanol (CID 102402729) is 2-[(6-chloro-5-pyrrol-1-ylpyrimidin-4-yl)-methylamino]ethanol.
What is the SMILES notation for 2-[(6-chloro-5-pyrrol-1-ylpyrimidin-4-yl)-methylamino]ethanol?
The canonical SMILES for 2-[(6-chloro-5-pyrrol-1-ylpyrimidin-4-yl)-methylamino]ethanol is CN(CCO)c1ncnc(Cl)c1-n1cccc1.
What is the InChIKey of 2-[(6-chloro-5-pyrrol-1-ylpyrimidin-4-yl)-methylamino]ethanol?
The InChIKey is IIFMSHXXLADOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-15(6-7-17)11-9(10(12)13-8-14-11)16-4-2-3-5-16/h2-5,8,17H,6-7H2,1H3.
What are the key properties of 2-[(6-chloro-5-pyrrol-1-ylpyrimidin-4-yl)-methylamino]ethanol?
2-[(6-chloro-5-pyrrol-1-ylpyrimidin-4-yl)-methylamino]ethanol has a molecular weight of 252.71 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-5-pyrrol-1-ylpyrimidin-4-yl)-methylamino]ethanol is sourced from PubChem (CID 102402729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).