1-[[(5-bromopyrimidin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol

C12H18BrN3O — CID 65118365

IUPAC1-[[(5-bromopyrimidin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNc2ncc(Br)cn2)CC1
InChIInChI=1S/C12H18BrN3O/c1-9-2-4-12(17,5-3-9)8-16-11-14-6-10(13)7-15-11/h6-7,9,17H,2-5,8H2,1H3,(H,14,15,16)
InChIKeyJVRDPROZTMPKRU-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.59
Rot. Bonds3

About 1-[[(5-bromopyrimidin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol

1-[[(5-bromopyrimidin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol (PubChem CID 65118365) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 1-[[(5-bromopyrimidin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(5-bromopyrimidin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol
PubChem CID65118365
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name1-[[(5-bromopyrimidin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNc2ncc(Br)cn2)CC1
InChIInChI=1S/C12H18BrN3O/c1-9-2-4-12(17,5-3-9)8-16-11-14-6-10(13)7-15-11/h6-7,9,17H,2-5,8H2,1H3,(H,14,15,16)
InChIKeyJVRDPROZTMPKRU-UHFFFAOYSA-N
XLogP2.59
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(5-bromopyrimidin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol with MolForge

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Related Compounds

1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4-methylcyclohexan-1-ol
CID 106796244
1-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65118322
4-methyl-1-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80842820
4-methyl-1-[[(4-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
CID 65118410
4-ethyl-1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
CID 65120061
1-[[(3-bromo-4-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 104777117
1-[(5-bromo-2-pyridinyl)methyl]-4-methylcyclohexan-1-ol
CID 104801440
1-[[(5-methylpyrimidin-2-yl)amino]methyl]cycloheptan-1-ol
CID 65122534
1-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65115492
4-methyl-1-[(quinoxalin-2-ylamino)methyl]cyclohexan-1-ol
CID 65118314
4-methyl-1-[[[6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80842436
4-methyl-1-[[(4-propoxypyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
CID 115975138

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-bromopyrimidin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(5-bromopyrimidin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol (CID 65118365) is 1-[[(5-bromopyrimidin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(5-bromopyrimidin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(5-bromopyrimidin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol is CC1CCC(O)(CNc2ncc(Br)cn2)CC1.
What is the InChIKey of 1-[[(5-bromopyrimidin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The InChIKey is JVRDPROZTMPKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-9-2-4-12(17,5-3-9)8-16-11-14-6-10(13)7-15-11/h6-7,9,17H,2-5,8H2,1H3,(H,14,15,16).
What are the key properties of 1-[[(5-bromopyrimidin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol?
1-[[(5-bromopyrimidin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol has a molecular weight of 300.20 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-bromopyrimidin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 65118365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).