[4-[(4-chlorophenyl)methoxy]-5-methylpyrimidin-2-yl]hydrazine

C12H13ClN4O — CID 80921881

IUPAC[4-[(4-chlorophenyl)methoxy]-5-methylpyrimidin-2-yl]hydrazine
SMILESCc1cnc(NN)nc1OCc1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN4O/c1-8-6-15-12(17-14)16-11(8)18-7-9-2-4-10(13)5-3-9/h2-6H,7,14H2,1H3,(H,15,16,17)
InChIKeyNZJRMEVNQLBTQV-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.30
Rot. Bonds4

About [4-[(4-chlorophenyl)methoxy]-5-methylpyrimidin-2-yl]hydrazine

[4-[(4-chlorophenyl)methoxy]-5-methylpyrimidin-2-yl]hydrazine (PubChem CID 80921881) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is [4-[(4-chlorophenyl)methoxy]-5-methylpyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-[(4-chlorophenyl)methoxy]-5-methylpyrimidin-2-yl]hydrazine
PubChem CID80921881
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name[4-[(4-chlorophenyl)methoxy]-5-methylpyrimidin-2-yl]hydrazine
SMILESCc1cnc(NN)nc1OCc1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN4O/c1-8-6-15-12(17-14)16-11(8)18-7-9-2-4-10(13)5-3-9/h2-6H,7,14H2,1H3,(H,15,16,17)
InChIKeyNZJRMEVNQLBTQV-UHFFFAOYSA-N
XLogP2.30
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2,4-dichlorophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80915153
[5-methyl-4-(2-propoxyethoxy)pyrimidin-2-yl]hydrazine
CID 80925219
[4-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol
CID 107745258
[5-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrimidin-2-yl]hydrazine
CID 106451634
[6-[(4-chlorophenyl)methoxy]-5-ethylpyrimidin-4-yl]hydrazine
CID 80922291
[4-(2-ethylphenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80917094
5-chloro-N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine
CID 80896298
[4-(2-methoxyphenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80917253
[2-[(4-chlorophenyl)methoxy]-6-methyl-3-pyridinyl]methanamine
CID 65126764
[5-methyl-4-[(2-methyl-3-pyridinyl)oxy]pyrimidin-2-yl]hydrazine
CID 80923549
[4-(2-bromophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80913487
(5-chloro-4-methoxypyrimidin-2-yl)hydrazine
CID 80911079

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorophenyl)methoxy]-5-methylpyrimidin-2-yl]hydrazine?
The IUPAC name of [4-[(4-chlorophenyl)methoxy]-5-methylpyrimidin-2-yl]hydrazine (CID 80921881) is [4-[(4-chlorophenyl)methoxy]-5-methylpyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-[(4-chlorophenyl)methoxy]-5-methylpyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-[(4-chlorophenyl)methoxy]-5-methylpyrimidin-2-yl]hydrazine is Cc1cnc(NN)nc1OCc1ccc(Cl)cc1.
What is the InChIKey of [4-[(4-chlorophenyl)methoxy]-5-methylpyrimidin-2-yl]hydrazine?
The InChIKey is NZJRMEVNQLBTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-8-6-15-12(17-14)16-11(8)18-7-9-2-4-10(13)5-3-9/h2-6H,7,14H2,1H3,(H,15,16,17).
What are the key properties of [4-[(4-chlorophenyl)methoxy]-5-methylpyrimidin-2-yl]hydrazine?
[4-[(4-chlorophenyl)methoxy]-5-methylpyrimidin-2-yl]hydrazine has a molecular weight of 264.72 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorophenyl)methoxy]-5-methylpyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80921881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).