4-[2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]ethyl]phenol

C12H14ClN5O — CID 80898809

IUPAC4-[2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]ethyl]phenol
SMILESNNc1ncc(Cl)c(NCCc2ccc(O)cc2)n1
InChIInChI=1S/C12H14ClN5O/c13-10-7-16-12(18-14)17-11(10)15-6-5-8-1-3-9(19)4-2-8/h1-4,7,19H,5-6,14H2,(H2,15,16,17,18)
InChIKeyDVJKWWFVZDAKPZ-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.78
Rot. Bonds5

About 4-[2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]ethyl]phenol

4-[2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]ethyl]phenol (PubChem CID 80898809) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 4-[2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]ethyl]phenol
PubChem CID80898809
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name4-[2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]ethyl]phenol
SMILESNNc1ncc(Cl)c(NCCc2ccc(O)cc2)n1
InChIInChI=1S/C12H14ClN5O/c13-10-7-16-12(18-14)17-11(10)15-6-5-8-1-3-9(19)4-2-8/h1-4,7,19H,5-6,14H2,(H2,15,16,17,18)
InChIKeyDVJKWWFVZDAKPZ-UHFFFAOYSA-N
XLogP1.78
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.78
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

4-[2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80797848
1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 80915615
5-chloro-N-(3-fluoropropyl)-2-hydrazinylpyrimidin-4-amine
CID 130505153
4-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]phenol
CID 79076702
5-chloro-2-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106412573
5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106424726
5-chloro-N-decyl-2-hydrazinylpyrimidin-4-amine
CID 80929289
5-chloro-2-N-ethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80791754
3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 80903270
5-chloro-2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 80932410
5-chloro-2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine
CID 80913327
2-hydrazinyl-5-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 80944185

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]ethyl]phenol?
The IUPAC name of 4-[2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]ethyl]phenol (CID 80898809) is 4-[2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]ethyl]phenol?
The canonical SMILES for 4-[2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]ethyl]phenol is NNc1ncc(Cl)c(NCCc2ccc(O)cc2)n1.
What is the InChIKey of 4-[2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]ethyl]phenol?
The InChIKey is DVJKWWFVZDAKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c13-10-7-16-12(18-14)17-11(10)15-6-5-8-1-3-9(19)4-2-8/h1-4,7,19H,5-6,14H2,(H2,15,16,17,18).
What are the key properties of 4-[2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]ethyl]phenol?
4-[2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]ethyl]phenol has a molecular weight of 279.73 g/mol, XLogP of 1.78, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]ethyl]phenol is sourced from PubChem (CID 80898809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).