2-[(6-amino-5-ethylpyrimidin-4-yl)-propan-2-ylamino]ethanol

C11H20N4O — CID 80811308

IUPAC2-[(6-amino-5-ethylpyrimidin-4-yl)-propan-2-ylamino]ethanol
SMILESCCc1c(N)ncnc1N(CCO)C(C)C
InChIInChI=1S/C11H20N4O/c1-4-9-10(12)13-7-14-11(9)15(5-6-16)8(2)3/h7-8,16H,4-6H2,1-3H3,(H2,12,13,14)
InChIKeyGYKCGYHBNSBNHK-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.83
Rot. Bonds5

About 2-[(6-amino-5-ethylpyrimidin-4-yl)-propan-2-ylamino]ethanol

2-[(6-amino-5-ethylpyrimidin-4-yl)-propan-2-ylamino]ethanol (PubChem CID 80811308) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-[(6-amino-5-ethylpyrimidin-4-yl)-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[(6-amino-5-ethylpyrimidin-4-yl)-propan-2-ylamino]ethanol
PubChem CID80811308
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-[(6-amino-5-ethylpyrimidin-4-yl)-propan-2-ylamino]ethanol
SMILESCCc1c(N)ncnc1N(CCO)C(C)C
InChIInChI=1S/C11H20N4O/c1-4-9-10(12)13-7-14-11(9)15(5-6-16)8(2)3/h7-8,16H,4-6H2,1-3H3,(H2,12,13,14)
InChIKeyGYKCGYHBNSBNHK-UHFFFAOYSA-N
XLogP0.83
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-chloro-5-ethylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
CID 63729486
3-[(6-amino-5-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
CID 80811427
2-[(3-aminopyrazin-2-yl)-propan-2-ylamino]ethanol
CID 102986225
5-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-4,6-diamine
CID 107871762
2-[(6-amino-5-ethylpyrimidin-4-yl)-cyclopropylamino]ethanol
CID 80810039
4-N-butan-2-yl-5-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80776680
2-[(6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 63729146
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]ethanol
CID 80791912
3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102875507
3-[(6-amino-5-ethylpyrimidin-4-yl)-methylamino]butanenitrile
CID 80828255
4-N-(cyclopropylmethyl)-4-N-propan-2-yl-5-propylpyrimidine-4,6-diamine
CID 80821292
4-N-butyl-4-N,5-diethylpyrimidine-4,6-diamine
CID 80754266

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-ethylpyrimidin-4-yl)-propan-2-ylamino]ethanol?
The IUPAC name of 2-[(6-amino-5-ethylpyrimidin-4-yl)-propan-2-ylamino]ethanol (CID 80811308) is 2-[(6-amino-5-ethylpyrimidin-4-yl)-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[(6-amino-5-ethylpyrimidin-4-yl)-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[(6-amino-5-ethylpyrimidin-4-yl)-propan-2-ylamino]ethanol is CCc1c(N)ncnc1N(CCO)C(C)C.
What is the InChIKey of 2-[(6-amino-5-ethylpyrimidin-4-yl)-propan-2-ylamino]ethanol?
The InChIKey is GYKCGYHBNSBNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-9-10(12)13-7-14-11(9)15(5-6-16)8(2)3/h7-8,16H,4-6H2,1-3H3,(H2,12,13,14).
What are the key properties of 2-[(6-amino-5-ethylpyrimidin-4-yl)-propan-2-ylamino]ethanol?
2-[(6-amino-5-ethylpyrimidin-4-yl)-propan-2-ylamino]ethanol has a molecular weight of 224.31 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-5-ethylpyrimidin-4-yl)-propan-2-ylamino]ethanol is sourced from PubChem (CID 80811308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).