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

C11H18BrN5O — CID 80923968

IUPAC[2-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
SMILESNNc1ncc(Br)c(NCC2CCCC2CO)n1
InChIInChI=1S/C11H18BrN5O/c12-9-5-15-11(17-13)16-10(9)14-4-7-2-1-3-8(7)6-18/h5,7-8,18H,1-4,6,13H2,(H2,14,15,16,17)
InChIKeyKUHANFOAMBKAFF-UHFFFAOYSA-N
MW316.20 g/mol
LogP1.35
Rot. Bonds5

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

[2-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol (PubChem CID 80923968) has the molecular formula C11H18BrN5O and a molecular weight of 316.20 g/mol. Its IUPAC name is [2-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
PubChem CID80923968
Molecular FormulaC11H18BrN5O
Molecular Weight316.20 g/mol
Exact Mass315.07
IUPAC Name[2-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
SMILESNNc1ncc(Br)c(NCC2CCCC2CO)n1
InChIInChI=1S/C11H18BrN5O/c12-9-5-15-11(17-13)16-10(9)14-4-7-2-1-3-8(7)6-18/h5,7-8,18H,1-4,6,13H2,(H2,14,15,16,17)
InChIKeyKUHANFOAMBKAFF-UHFFFAOYSA-N
XLogP1.35
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 51.35
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

5-bromo-N-(cyclopentylmethyl)-2-hydrazinylpyrimidin-4-amine
CID 80894632
[2-[[(2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 80925618
5-bromo-2-hydrazinyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 80914415
5-bromo-2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
CID 106026101
5-bromo-2-hydrazinyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 80922898
3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106179503
[1-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103968793
3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366608
2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80919191
[2-[[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol
CID 80925382
5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]pentanamide
CID 106241957
[2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol
CID 106538971

Frequently Asked Questions

What is the IUPAC name of [2-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
The IUPAC name of [2-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol (CID 80923968) is [2-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [2-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [2-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol is NNc1ncc(Br)c(NCC2CCCC2CO)n1.
What is the InChIKey of [2-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
The InChIKey is KUHANFOAMBKAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN5O/c12-9-5-15-11(17-13)16-10(9)14-4-7-2-1-3-8(7)6-18/h5,7-8,18H,1-4,6,13H2,(H2,14,15,16,17).
What are the key properties of [2-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
[2-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol has a molecular weight of 316.20 g/mol, XLogP of 1.35, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 80923968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).