[1-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol

C12H20BrN5O — CID 103968793

IUPAC[1-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
SMILESNNc1ncc(Br)c(NCC2(CO)CCCCC2)n1
InChIInChI=1S/C12H20BrN5O/c13-9-6-15-11(18-14)17-10(9)16-7-12(8-19)4-2-1-3-5-12/h6,19H,1-5,7-8,14H2,(H2,15,16,17,18)
InChIKeyUISQIJBFFMBXEK-UHFFFAOYSA-N
MW330.23 g/mol
LogP1.88
Rot. Bonds5

About [1-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol

[1-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol (PubChem CID 103968793) has the molecular formula C12H20BrN5O and a molecular weight of 330.23 g/mol. Its IUPAC name is [1-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
PubChem CID103968793
Molecular FormulaC12H20BrN5O
Molecular Weight330.23 g/mol
Exact Mass329.09
IUPAC Name[1-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
SMILESNNc1ncc(Br)c(NCC2(CO)CCCCC2)n1
InChIInChI=1S/C12H20BrN5O/c13-9-6-15-11(18-14)17-10(9)16-7-12(8-19)4-2-1-3-5-12/h6,19H,1-5,7-8,14H2,(H2,15,16,17,18)
InChIKeyUISQIJBFFMBXEK-UHFFFAOYSA-N
XLogP1.88
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 51.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-[[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
CID 103968689
5-bromo-2-N-ethyl-4-N-[(1-ethylcyclobutyl)methyl]pyrimidine-2,4-diamine
CID 114110032
[1-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 114836032
[1-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 104507130
1-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80915223
[1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103968719
[2-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 80923968
1-[[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]methyl]cycloheptan-1-ol
CID 80828340
5-bromo-N-(cyclopentylmethyl)-2-hydrazinylpyrimidin-4-amine
CID 80894632
3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366608
[1-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]cyclopropyl]methanol
CID 115454140
3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106179503

Frequently Asked Questions

What is the IUPAC name of [1-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol (CID 103968793) is [1-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol is NNc1ncc(Br)c(NCC2(CO)CCCCC2)n1.
What is the InChIKey of [1-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
The InChIKey is UISQIJBFFMBXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN5O/c13-9-6-15-11(18-14)17-10(9)16-7-12(8-19)4-2-1-3-5-12/h6,19H,1-5,7-8,14H2,(H2,15,16,17,18).
What are the key properties of [1-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
[1-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol has a molecular weight of 330.23 g/mol, XLogP of 1.88, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 103968793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).