2-[(2-amino-5-methylpyrimidin-4-yl)-ethylamino]ethanol

C9H16N4O — CID 80791211

IUPAC2-[(2-amino-5-methylpyrimidin-4-yl)-ethylamino]ethanol
SMILESCCN(CCO)c1nc(N)ncc1C
InChIInChI=1S/C9H16N4O/c1-3-13(4-5-14)8-7(2)6-11-9(10)12-8/h6,14H,3-5H2,1-2H3,(H2,10,11,12)
InChIKeyPMXQUTBVCGVQOU-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.19
Rot. Bonds4

About 2-[(2-amino-5-methylpyrimidin-4-yl)-ethylamino]ethanol

2-[(2-amino-5-methylpyrimidin-4-yl)-ethylamino]ethanol (PubChem CID 80791211) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-[(2-amino-5-methylpyrimidin-4-yl)-ethylamino]ethanol.

Molecular Properties

Compound Name2-[(2-amino-5-methylpyrimidin-4-yl)-ethylamino]ethanol
PubChem CID80791211
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-[(2-amino-5-methylpyrimidin-4-yl)-ethylamino]ethanol
SMILESCCN(CCO)c1nc(N)ncc1C
InChIInChI=1S/C9H16N4O/c1-3-13(4-5-14)8-7(2)6-11-9(10)12-8/h6,14H,3-5H2,1-2H3,(H2,10,11,12)
InChIKeyPMXQUTBVCGVQOU-UHFFFAOYSA-N
XLogP0.19
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-amino-5-bromopyrimidin-4-yl)-ethylamino]ethanol
CID 80790255
4-N-[3-(diethylamino)propyl]-4-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 102998979
2-[ethyl-[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80790817
2-[ethyl-[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80790274
2-[(2-amino-5-methylpyrimidin-4-yl)-(2-amino-2-oxoethyl)amino]acetamide
CID 80824373
3-[(2-amino-5-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
CID 80811126
2-[(2-amino-5-methylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile
CID 80753562
2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)-propylamino]ethanol
CID 80896004
2-[2-hydroxyethyl-[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80797115
3-[(2-amino-5-methylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80830637
2-[ethyl-(3-methylquinolin-2-yl)amino]ethanol
CID 63228987
1-[(2-amino-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 80826755

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-methylpyrimidin-4-yl)-ethylamino]ethanol?
The IUPAC name of 2-[(2-amino-5-methylpyrimidin-4-yl)-ethylamino]ethanol (CID 80791211) is 2-[(2-amino-5-methylpyrimidin-4-yl)-ethylamino]ethanol.
What is the SMILES notation for 2-[(2-amino-5-methylpyrimidin-4-yl)-ethylamino]ethanol?
The canonical SMILES for 2-[(2-amino-5-methylpyrimidin-4-yl)-ethylamino]ethanol is CCN(CCO)c1nc(N)ncc1C.
What is the InChIKey of 2-[(2-amino-5-methylpyrimidin-4-yl)-ethylamino]ethanol?
The InChIKey is PMXQUTBVCGVQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-3-13(4-5-14)8-7(2)6-11-9(10)12-8/h6,14H,3-5H2,1-2H3,(H2,10,11,12).
What are the key properties of 2-[(2-amino-5-methylpyrimidin-4-yl)-ethylamino]ethanol?
2-[(2-amino-5-methylpyrimidin-4-yl)-ethylamino]ethanol has a molecular weight of 196.25 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-methylpyrimidin-4-yl)-ethylamino]ethanol is sourced from PubChem (CID 80791211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).