4-[[(6-bromoquinazolin-4-yl)amino]methyl]oxan-4-ol

C14H16BrN3O2 — CID 86946176

IUPAC4-[[(6-bromoquinazolin-4-yl)amino]methyl]oxan-4-ol
SMILESOC1(CNc2ncnc3ccc(Br)cc23)CCOCC1
InChIInChI=1S/C14H16BrN3O2/c15-10-1-2-12-11(7-10)13(18-9-17-12)16-8-14(19)3-5-20-6-4-14/h1-2,7,9,19H,3-6,8H2,(H,16,17,18)
InChIKeyAPYRQSDFZNKIIQ-UHFFFAOYSA-N
MW338.20 g/mol
LogP2.35
Rot. Bonds3

About 4-[[(6-bromoquinazolin-4-yl)amino]methyl]oxan-4-ol

4-[[(6-bromoquinazolin-4-yl)amino]methyl]oxan-4-ol (PubChem CID 86946176) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.20 g/mol. Its IUPAC name is 4-[[(6-bromoquinazolin-4-yl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(6-bromoquinazolin-4-yl)amino]methyl]oxan-4-ol
PubChem CID86946176
Molecular FormulaC14H16BrN3O2
Molecular Weight338.20 g/mol
Exact Mass337.04
IUPAC Name4-[[(6-bromoquinazolin-4-yl)amino]methyl]oxan-4-ol
SMILESOC1(CNc2ncnc3ccc(Br)cc23)CCOCC1
InChIInChI=1S/C14H16BrN3O2/c15-10-1-2-12-11(7-10)13(18-9-17-12)16-8-14(19)3-5-20-6-4-14/h1-2,7,9,19H,3-6,8H2,(H,16,17,18)
InChIKeyAPYRQSDFZNKIIQ-UHFFFAOYSA-N
XLogP2.35
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[(6-bromoquinazolin-4-yl)amino]methyl]oxan-4-ol with MolForge

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Related Compounds

6-bromo-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]quinazolin-4-amine
CID 87021044
6-bromo-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 728957
2-[4-[[(6-fluoroquinazolin-4-yl)amino]methyl]oxan-4-yl]ethanol
CID 71983698
6-bromo-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinazolin-4-amine
CID 133459268
4-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 78929377
4-[[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]oxan-4-ol
CID 133299493
4-[[(5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 172899263
4-[[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]oxan-4-ol
CID 81132173
[4-[(6-aminoquinazolin-4-yl)amino]oxan-4-yl]methanol
CID 106296813
4-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 81130220
6-bromo-N-[(1,1-dioxothietan-3-yl)methyl]quinazolin-4-amine
CID 154763470
4-[[(3,5-dichloro-2-pyridinyl)amino]methyl]oxan-4-ol
CID 81130477

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-bromoquinazolin-4-yl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(6-bromoquinazolin-4-yl)amino]methyl]oxan-4-ol (CID 86946176) is 4-[[(6-bromoquinazolin-4-yl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(6-bromoquinazolin-4-yl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(6-bromoquinazolin-4-yl)amino]methyl]oxan-4-ol is OC1(CNc2ncnc3ccc(Br)cc23)CCOCC1.
What is the InChIKey of 4-[[(6-bromoquinazolin-4-yl)amino]methyl]oxan-4-ol?
The InChIKey is APYRQSDFZNKIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c15-10-1-2-12-11(7-10)13(18-9-17-12)16-8-14(19)3-5-20-6-4-14/h1-2,7,9,19H,3-6,8H2,(H,16,17,18).
What are the key properties of 4-[[(6-bromoquinazolin-4-yl)amino]methyl]oxan-4-ol?
4-[[(6-bromoquinazolin-4-yl)amino]methyl]oxan-4-ol has a molecular weight of 338.20 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-bromoquinazolin-4-yl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 86946176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).