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

C10H14BrN3O — CID 104966810

IUPAC4-[(6-bromopyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2cc(Br)ncn2)CC1
InChIInChI=1S/C10H14BrN3O/c11-9-5-10(13-6-12-9)14-7-1-3-8(15)4-2-7/h5-8,15H,1-4H2,(H,12,13,14)
InChIKeyDFUOBIOSXZHETM-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.95
Rot. Bonds2

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

4-[(6-bromopyrimidin-4-yl)amino]cyclohexan-1-ol (PubChem CID 104966810) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 4-[(6-bromopyrimidin-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(6-bromopyrimidin-4-yl)amino]cyclohexan-1-ol
PubChem CID104966810
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name4-[(6-bromopyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2cc(Br)ncn2)CC1
InChIInChI=1S/C10H14BrN3O/c11-9-5-10(13-6-12-9)14-7-1-3-8(15)4-2-7/h5-8,15H,1-4H2,(H,12,13,14)
InChIKeyDFUOBIOSXZHETM-UHFFFAOYSA-N
XLogP1.95
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[6-(cyclobutylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 115265146
4-[(6-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol
CID 104966807
4-[[(6-bromopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106137378
6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine
CID 112854680
cis-(1R,3S)-3-[(6-methylpyrimidin-4-yl)amino]cyclopentan-1-ol
CID 130643849
1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-ol
CID 115265259
4-[(4-methyl-2-pyridinyl)amino]cyclohexan-1-ol
CID 58548584
4-[[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 95763811
4-[(5-chloro-4-iodo-2-pyridinyl)amino]cyclohexan-1-ol
CID 66937023
1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-ol
CID 66569760
6-tert-butyl-N-cyclopropylpyrimidin-4-amine
CID 126849020
4-[(5-bromo-6-methyl-2-pyridinyl)amino]cyclohexan-1-ol
CID 103915060

Frequently Asked Questions

What is the IUPAC name of 4-[(6-bromopyrimidin-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(6-bromopyrimidin-4-yl)amino]cyclohexan-1-ol (CID 104966810) is 4-[(6-bromopyrimidin-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(6-bromopyrimidin-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(6-bromopyrimidin-4-yl)amino]cyclohexan-1-ol is OC1CCC(Nc2cc(Br)ncn2)CC1.
What is the InChIKey of 4-[(6-bromopyrimidin-4-yl)amino]cyclohexan-1-ol?
The InChIKey is DFUOBIOSXZHETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c11-9-5-10(13-6-12-9)14-7-1-3-8(15)4-2-7/h5-8,15H,1-4H2,(H,12,13,14).
What are the key properties of 4-[(6-bromopyrimidin-4-yl)amino]cyclohexan-1-ol?
4-[(6-bromopyrimidin-4-yl)amino]cyclohexan-1-ol has a molecular weight of 272.15 g/mol, XLogP of 1.95, 2 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]cyclohexan-1-ol is sourced from PubChem (CID 104966810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).