[4-(4-amino-6-bromopyrimidin-2-yl)morpholin-3-yl]methanol

C9H13BrN4O2 — CID 116797527

IUPAC[4-(4-amino-6-bromopyrimidin-2-yl)morpholin-3-yl]methanol
SMILESNc1cc(Br)nc(N2CCOCC2CO)n1
InChIInChI=1S/C9H13BrN4O2/c10-7-3-8(11)13-9(12-7)14-1-2-16-5-6(14)4-15/h3,6,15H,1-2,4-5H2,(H2,11,12,13)
InChIKeyMDCXJWJQWISRHY-UHFFFAOYSA-N
MW289.13 g/mol
LogP0.02
Rot. Bonds2

About [4-(4-amino-6-bromopyrimidin-2-yl)morpholin-3-yl]methanol

[4-(4-amino-6-bromopyrimidin-2-yl)morpholin-3-yl]methanol (PubChem CID 116797527) has the molecular formula C9H13BrN4O2 and a molecular weight of 289.13 g/mol. Its IUPAC name is [4-(4-amino-6-bromopyrimidin-2-yl)morpholin-3-yl]methanol.

Molecular Properties

Compound Name[4-(4-amino-6-bromopyrimidin-2-yl)morpholin-3-yl]methanol
PubChem CID116797527
Molecular FormulaC9H13BrN4O2
Molecular Weight289.13 g/mol
Exact Mass288.02
IUPAC Name[4-(4-amino-6-bromopyrimidin-2-yl)morpholin-3-yl]methanol
SMILESNc1cc(Br)nc(N2CCOCC2CO)n1
InChIInChI=1S/C9H13BrN4O2/c10-7-3-8(11)13-9(12-7)14-1-2-16-5-6(14)4-15/h3,6,15H,1-2,4-5H2,(H2,11,12,13)
InChIKeyMDCXJWJQWISRHY-UHFFFAOYSA-N
XLogP0.02
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3,4-diaminophenyl)morpholin-3-yl]methanol
CID 106751224
(4-phenylmorpholin-3-yl)methanol
CID 91802000
4-bromo-2-[3-(hydroxymethyl)morpholin-4-yl]benzonitrile
CID 114902259
[4-(4-methoxyphenyl)morpholin-3-yl]methanol
CID 117009227
6-bromo-2-(2,5-dimethylmorpholin-4-yl)pyrimidin-4-amine
CID 116796451
[4-(2-chlorophenyl)morpholin-3-yl]methanol
CID 117009212
[4-(6-chloro-4-nitro-2-pyridinyl)morpholin-3-yl]methanol
CID 114070875
[4-(3-chloro-4-fluorophenyl)morpholin-3-yl]methanol
CID 117009219
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-bromopyrimidin-4-amine
CID 116796943
2-[3-(hydroxymethyl)morpholin-4-yl]-1,3-benzoxazole-6-carboxylic acid
CID 116691705
[4-[4-(hydroxymethyl)-3-pyridinyl]morpholin-3-yl]methanol
CID 105066985
[(3R)-4-[4-chloro-6-(3,3-dimethylmorpholin-4-yl)-1,3,5-triazin-2-yl]morpholin-3-yl]methanol
CID 137453994

Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-6-bromopyrimidin-2-yl)morpholin-3-yl]methanol?
The IUPAC name of [4-(4-amino-6-bromopyrimidin-2-yl)morpholin-3-yl]methanol (CID 116797527) is [4-(4-amino-6-bromopyrimidin-2-yl)morpholin-3-yl]methanol.
What is the SMILES notation for [4-(4-amino-6-bromopyrimidin-2-yl)morpholin-3-yl]methanol?
The canonical SMILES for [4-(4-amino-6-bromopyrimidin-2-yl)morpholin-3-yl]methanol is Nc1cc(Br)nc(N2CCOCC2CO)n1.
What is the InChIKey of [4-(4-amino-6-bromopyrimidin-2-yl)morpholin-3-yl]methanol?
The InChIKey is MDCXJWJQWISRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4O2/c10-7-3-8(11)13-9(12-7)14-1-2-16-5-6(14)4-15/h3,6,15H,1-2,4-5H2,(H2,11,12,13).
What are the key properties of [4-(4-amino-6-bromopyrimidin-2-yl)morpholin-3-yl]methanol?
[4-(4-amino-6-bromopyrimidin-2-yl)morpholin-3-yl]methanol has a molecular weight of 289.13 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-6-bromopyrimidin-2-yl)morpholin-3-yl]methanol is sourced from PubChem (CID 116797527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).