[4-(2-amino-5-bromopyrimidin-4-yl)-5-methylmorpholin-2-yl]methanol

C10H15BrN4O2 — CID 81216804

IUPAC[4-(2-amino-5-bromopyrimidin-4-yl)-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1c1nc(N)ncc1Br
InChIInChI=1S/C10H15BrN4O2/c1-6-5-17-7(4-16)3-15(6)9-8(11)2-13-10(12)14-9/h2,6-7,16H,3-5H2,1H3,(H2,12,13,14)
InChIKeyGALBTEBUCBZJQF-UHFFFAOYSA-N
MW303.16 g/mol
LogP0.41
Rot. Bonds2

About [4-(2-amino-5-bromopyrimidin-4-yl)-5-methylmorpholin-2-yl]methanol

[4-(2-amino-5-bromopyrimidin-4-yl)-5-methylmorpholin-2-yl]methanol (PubChem CID 81216804) has the molecular formula C10H15BrN4O2 and a molecular weight of 303.16 g/mol. Its IUPAC name is [4-(2-amino-5-bromopyrimidin-4-yl)-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(2-amino-5-bromopyrimidin-4-yl)-5-methylmorpholin-2-yl]methanol
PubChem CID81216804
Molecular FormulaC10H15BrN4O2
Molecular Weight303.16 g/mol
Exact Mass302.04
IUPAC Name[4-(2-amino-5-bromopyrimidin-4-yl)-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1c1nc(N)ncc1Br
InChIInChI=1S/C10H15BrN4O2/c1-6-5-17-7(4-16)3-15(6)9-8(11)2-13-10(12)14-9/h2,6-7,16H,3-5H2,1H3,(H2,12,13,14)
InChIKeyGALBTEBUCBZJQF-UHFFFAOYSA-N
XLogP0.41
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(2-amino-5-bromopyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102789914
[4-(5-amino-2-pyridinyl)-5-methylmorpholin-2-yl]methanol
CID 81205999
[4-(6-bromo-2-pyridinyl)-5-methylmorpholin-2-yl]methanol
CID 81208358
[4-(6-amino-2-pyridinyl)-5-methylmorpholin-2-yl]methanol
CID 81218480
5-amino-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-3-carboxylic acid
CID 81439891
[4-(6-aminopyrimidin-4-yl)-5-methylmorpholin-2-yl]methanol
CID 81218492
[4-(2-amino-6-methoxypyrimidin-4-yl)-5-methylmorpholin-2-yl]methanol
CID 114053206
[4-(4-aminophenyl)-5-methylmorpholin-2-yl]methanol
CID 81206068
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-6-methylpyridine-3-carboximidamide
CID 81203604
[4-[2-amino-6-(methylamino)pyrimidin-4-yl]-5-methylmorpholin-2-yl]methanol
CID 81216913
[4-(5-bromopyridazin-3-yl)-5-methylmorpholin-2-yl]methanol
CID 131963742
[4-[4-(aminomethyl)-3-chloro-2-pyridinyl]-5-methylmorpholin-2-yl]methanol
CID 107055699

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-5-bromopyrimidin-4-yl)-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(2-amino-5-bromopyrimidin-4-yl)-5-methylmorpholin-2-yl]methanol (CID 81216804) is [4-(2-amino-5-bromopyrimidin-4-yl)-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(2-amino-5-bromopyrimidin-4-yl)-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(2-amino-5-bromopyrimidin-4-yl)-5-methylmorpholin-2-yl]methanol is CC1COC(CO)CN1c1nc(N)ncc1Br.
What is the InChIKey of [4-(2-amino-5-bromopyrimidin-4-yl)-5-methylmorpholin-2-yl]methanol?
The InChIKey is GALBTEBUCBZJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O2/c1-6-5-17-7(4-16)3-15(6)9-8(11)2-13-10(12)14-9/h2,6-7,16H,3-5H2,1H3,(H2,12,13,14).
What are the key properties of [4-(2-amino-5-bromopyrimidin-4-yl)-5-methylmorpholin-2-yl]methanol?
[4-(2-amino-5-bromopyrimidin-4-yl)-5-methylmorpholin-2-yl]methanol has a molecular weight of 303.16 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-5-bromopyrimidin-4-yl)-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81216804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).