4-[[(6-bromopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

C11H16BrN3O — CID 106137378

IUPAC4-[[(6-bromopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESOC1CCC(CNc2cc(Br)ncn2)CC1
InChIInChI=1S/C11H16BrN3O/c12-10-5-11(15-7-14-10)13-6-8-1-3-9(16)4-2-8/h5,7-9,16H,1-4,6H2,(H,13,14,15)
InChIKeyFIKQAZSQNZWWRF-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.20
Rot. Bonds3

About 4-[[(6-bromopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

4-[[(6-bromopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 106137378) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 4-[[(6-bromopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(6-bromopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID106137378
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name4-[[(6-bromopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESOC1CCC(CNc2cc(Br)ncn2)CC1
InChIInChI=1S/C11H16BrN3O/c12-10-5-11(15-7-14-10)13-6-8-1-3-9(16)4-2-8/h5,7-9,16H,1-4,6H2,(H,13,14,15)
InChIKeyFIKQAZSQNZWWRF-UHFFFAOYSA-N
XLogP2.20
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106130861
4-[(6-bromopyrimidin-4-yl)amino]cyclohexan-1-ol
CID 104966810
3-[[[6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137975
N-(cyclopropylmethyl)-6-(fluoromethyl)pyrimidin-4-amine
CID 126849132
3-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 104917710
N-(cyclopropylmethyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972538
N-[(4-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine
CID 114147282
6-methoxy-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 66326407
3-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
CID 115417135
3-[[(6-ethoxypyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
CID 66331001
N-(cyclobutylmethyl)-6-fluoropyrimidin-4-amine
CID 115416489
4-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 106129928

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-bromopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(6-bromopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (CID 106137378) is 4-[[(6-bromopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(6-bromopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(6-bromopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is OC1CCC(CNc2cc(Br)ncn2)CC1.
What is the InChIKey of 4-[[(6-bromopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is FIKQAZSQNZWWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c12-10-5-11(15-7-14-10)13-6-8-1-3-9(16)4-2-8/h5,7-9,16H,1-4,6H2,(H,13,14,15).
What are the key properties of 4-[[(6-bromopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
4-[[(6-bromopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 286.17 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-bromopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106137378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).