[4-[(5-bromopyrimidin-4-yl)amino]oxan-4-yl]methanol

C10H14BrN3O2 — CID 106299315

IUPAC[4-[(5-bromopyrimidin-4-yl)amino]oxan-4-yl]methanol
SMILESOCC1(Nc2ncncc2Br)CCOCC1
InChIInChI=1S/C10H14BrN3O2/c11-8-5-12-7-13-9(8)14-10(6-15)1-3-16-4-2-10/h5,7,15H,1-4,6H2,(H,12,13,14)
InChIKeyKIVGWXJNURKCKV-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.19
Rot. Bonds3

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

[4-[(5-bromopyrimidin-4-yl)amino]oxan-4-yl]methanol (PubChem CID 106299315) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is [4-[(5-bromopyrimidin-4-yl)amino]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(5-bromopyrimidin-4-yl)amino]oxan-4-yl]methanol
PubChem CID106299315
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Name[4-[(5-bromopyrimidin-4-yl)amino]oxan-4-yl]methanol
SMILESOCC1(Nc2ncncc2Br)CCOCC1
InChIInChI=1S/C10H14BrN3O2/c11-8-5-12-7-13-9(8)14-10(6-15)1-3-16-4-2-10/h5,7,15H,1-4,6H2,(H,12,13,14)
InChIKeyKIVGWXJNURKCKV-UHFFFAOYSA-N
XLogP1.19
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(3-bromo-2-pyridinyl)amino]oxolan-3-yl]methanol
CID 130948421
[1-[(5-chloropyrimidin-4-yl)amino]cyclopropyl]methanol
CID 105369688
N-[1-(aminomethyl)cyclohexyl]-5-bromopyrimidin-4-amine
CID 66318043
[4-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106301522
N-[4-(aminomethyl)oxan-4-yl]-5-iodopyrimidin-4-amine
CID 106298229
[4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106300137
5-amino-6-[[4-(hydroxymethyl)oxan-4-yl]amino]pyridine-3-carbonitrile
CID 114169972
[4-[(6-aminoquinazolin-4-yl)amino]oxan-4-yl]methanol
CID 106296813
[4-[(6-amino-5-nitropyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106301168
[4-[(6-chloro-5-nitropyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 114170521
[4-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]oxan-4-yl]methanol
CID 106300603
3-bromo-N-[4-(chloromethyl)oxan-4-yl]pyridin-2-amine
CID 106300053

Frequently Asked Questions

What is the IUPAC name of [4-[(5-bromopyrimidin-4-yl)amino]oxan-4-yl]methanol?
The IUPAC name of [4-[(5-bromopyrimidin-4-yl)amino]oxan-4-yl]methanol (CID 106299315) is [4-[(5-bromopyrimidin-4-yl)amino]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(5-bromopyrimidin-4-yl)amino]oxan-4-yl]methanol?
The canonical SMILES for [4-[(5-bromopyrimidin-4-yl)amino]oxan-4-yl]methanol is OCC1(Nc2ncncc2Br)CCOCC1.
What is the InChIKey of [4-[(5-bromopyrimidin-4-yl)amino]oxan-4-yl]methanol?
The InChIKey is KIVGWXJNURKCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c11-8-5-12-7-13-9(8)14-10(6-15)1-3-16-4-2-10/h5,7,15H,1-4,6H2,(H,12,13,14).
What are the key properties of [4-[(5-bromopyrimidin-4-yl)amino]oxan-4-yl]methanol?
[4-[(5-bromopyrimidin-4-yl)amino]oxan-4-yl]methanol has a molecular weight of 288.14 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-bromopyrimidin-4-yl)amino]oxan-4-yl]methanol is sourced from PubChem (CID 106299315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).