4-[2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethyl]phenol

C13H17N5O — CID 80898704

IUPAC4-[2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethyl]phenol
SMILESCc1c(NN)ncnc1NCCc1ccc(O)cc1
InChIInChI=1S/C13H17N5O/c1-9-12(16-8-17-13(9)18-14)15-7-6-10-2-4-11(19)5-3-10/h2-5,8,19H,6-7,14H2,1H3,(H2,15,16,17,18)
InChIKeyLJJBYMPAQVMVAI-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.43
Rot. Bonds5

About 4-[2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethyl]phenol

4-[2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethyl]phenol (PubChem CID 80898704) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethyl]phenol
PubChem CID80898704
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name4-[2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethyl]phenol
SMILESCc1c(NN)ncnc1NCCc1ccc(O)cc1
InChIInChI=1S/C13H17N5O/c1-9-12(16-8-17-13(9)18-14)15-7-6-10-2-4-11(19)5-3-10/h2-5,8,19H,6-7,14H2,1H3,(H2,15,16,17,18)
InChIKeyLJJBYMPAQVMVAI-UHFFFAOYSA-N
XLogP1.43
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.43
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

6-hydrazinyl-5-methyl-N-[2-(2-methylphenyl)ethyl]pyrimidin-4-amine
CID 80930265
3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol
CID 80943609
6-hydrazinyl-5-methyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 80932540
4-N-[2-(4-chlorophenyl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80794560
4-[2-(quinazolin-4-ylamino)ethyl]phenol
CID 24742057
4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol
CID 28850872
6-chloro-N-[2-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine
CID 55229875
6-hydrazinyl-5-methyl-N-(4-propylphenyl)pyrimidin-4-amine
CID 80894168
4-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol
CID 47295068
4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]phenol
CID 47060280
N-[2-(4-fluorophenyl)ethyl]-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80911399
4-[2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]ethyl]phenol
CID 80898809

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethyl]phenol?
The IUPAC name of 4-[2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethyl]phenol (CID 80898704) is 4-[2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethyl]phenol?
The canonical SMILES for 4-[2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethyl]phenol is Cc1c(NN)ncnc1NCCc1ccc(O)cc1.
What is the InChIKey of 4-[2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethyl]phenol?
The InChIKey is LJJBYMPAQVMVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-12(16-8-17-13(9)18-14)15-7-6-10-2-4-11(19)5-3-10/h2-5,8,19H,6-7,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-[2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethyl]phenol?
4-[2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethyl]phenol has a molecular weight of 259.31 g/mol, XLogP of 1.43, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethyl]phenol is sourced from PubChem (CID 80898704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).