4-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]oxan-4-ol

C11H16BrN3O2 — CID 114951092

IUPAC4-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCOCC1)c1cc(Br)ncn1
InChIInChI=1S/C11H16BrN3O2/c1-15(10-6-9(12)13-8-14-10)7-11(16)2-4-17-5-3-11/h6,8,16H,2-5,7H2,1H3
InChIKeySZKQZJTYPILJNS-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.22
Rot. Bonds3

About 4-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]oxan-4-ol

4-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]oxan-4-ol (PubChem CID 114951092) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 4-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
PubChem CID114951092
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name4-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCOCC1)c1cc(Br)ncn1
InChIInChI=1S/C11H16BrN3O2/c1-15(10-6-9(12)13-8-14-10)7-11(16)2-4-17-5-3-11/h6,8,16H,2-5,7H2,1H3
InChIKeySZKQZJTYPILJNS-UHFFFAOYSA-N
XLogP1.22
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]oxan-4-ol with MolForge

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Related Compounds

1-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114951033
4-[[(5-amino-4-methyl-2-pyridinyl)-methylamino]methyl]oxan-4-ol
CID 114947689
4-[[(5-bromopyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114952153
4-[[(4-amino-6-bromopyrimidin-2-yl)-methylamino]methyl]oxan-4-ol
CID 114953948
4-[[[6-(hydroxymethyl)pyridazin-3-yl]-methylamino]methyl]oxan-4-ol
CID 114952374
4-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol
CID 106768477
4-[[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol
CID 114950333
6-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyridine-3-carbothioamide
CID 114949466
4-[[methyl(pyridin-4-yl)amino]methyl]oxan-4-ol
CID 114952312
4-[[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114952221
4-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114954120
4-[[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-methylamino]methyl]oxan-4-ol
CID 104985437

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]oxan-4-ol (CID 114951092) is 4-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]oxan-4-ol is CN(CC1(O)CCOCC1)c1cc(Br)ncn1.
What is the InChIKey of 4-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]oxan-4-ol?
The InChIKey is SZKQZJTYPILJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-15(10-6-9(12)13-8-14-10)7-11(16)2-4-17-5-3-11/h6,8,16H,2-5,7H2,1H3.
What are the key properties of 4-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]oxan-4-ol?
4-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]oxan-4-ol has a molecular weight of 302.17 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114951092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).