2-[4-(6-amino-5-methoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol

C12H21N5O2 — CID 107226746

IUPAC2-[4-(6-amino-5-methoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol
SMILESCOc1c(N)ncnc1N1CCCN(CCO)CC1
InChIInChI=1S/C12H21N5O2/c1-19-10-11(13)14-9-15-12(10)17-4-2-3-16(5-6-17)7-8-18/h9,18H,2-8H2,1H3,(H2,13,14,15)
InChIKeyYONBOWNYKVHVGV-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.43
Rot. Bonds4

About 2-[4-(6-amino-5-methoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol

2-[4-(6-amino-5-methoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol (PubChem CID 107226746) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[4-(6-amino-5-methoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(6-amino-5-methoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol
PubChem CID107226746
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name2-[4-(6-amino-5-methoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol
SMILESCOc1c(N)ncnc1N1CCCN(CCO)CC1
InChIInChI=1S/C12H21N5O2/c1-19-10-11(13)14-9-15-12(10)17-4-2-3-16(5-6-17)7-8-18/h9,18H,2-8H2,1H3,(H2,13,14,15)
InChIKeyYONBOWNYKVHVGV-UHFFFAOYSA-N
XLogP-0.43
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(5-methoxy-6-methylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 136551352
2-[4-(5,6-diaminopyrimidin-4-yl)piperazin-1-yl]ethanol
CID 19137084
2-[4-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 19137446
2-(4-thieno[2,3-d]pyrimidin-4-yl-1,4-diazepan-1-yl)ethanol
CID 63309935
1-(6-amino-5-methoxypyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 114683932
2-[4-(5-amino-6-hydrazinylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 19140663
ethyl 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 63309811
2-[4-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanol
CID 141094981
2-[4-[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 22540705
1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]isoquinolin-7-ol
CID 106541481
2-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]ethanamine
CID 160817800
2-[4-(5-bromo-4-methoxypyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol
CID 113253598

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-amino-5-methoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol?
The IUPAC name of 2-[4-(6-amino-5-methoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol (CID 107226746) is 2-[4-(6-amino-5-methoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol.
What is the SMILES notation for 2-[4-(6-amino-5-methoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol?
The canonical SMILES for 2-[4-(6-amino-5-methoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol is COc1c(N)ncnc1N1CCCN(CCO)CC1.
What is the InChIKey of 2-[4-(6-amino-5-methoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol?
The InChIKey is YONBOWNYKVHVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-19-10-11(13)14-9-15-12(10)17-4-2-3-16(5-6-17)7-8-18/h9,18H,2-8H2,1H3,(H2,13,14,15).
What are the key properties of 2-[4-(6-amino-5-methoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol?
2-[4-(6-amino-5-methoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol has a molecular weight of 267.33 g/mol, XLogP of -0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-amino-5-methoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol is sourced from PubChem (CID 107226746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).