[2-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methylpyrimidin-4-yl]hydrazine

C16H22N4 — CID 62594082

IUPAC[2-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methylpyrimidin-4-yl]hydrazine
SMILESCCc1c(C)nc(Cc2cc(C)cc(C)c2)nc1NN
InChIInChI=1S/C16H22N4/c1-5-14-12(4)18-15(19-16(14)20-17)9-13-7-10(2)6-11(3)8-13/h6-8H,5,9,17H2,1-4H3,(H,18,19,20)
InChIKeyXQEURPKMFQBJHZ-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.84
Rot. Bonds4

About [2-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methylpyrimidin-4-yl]hydrazine

[2-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methylpyrimidin-4-yl]hydrazine (PubChem CID 62594082) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is [2-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methylpyrimidin-4-yl]hydrazine
PubChem CID62594082
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name[2-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methylpyrimidin-4-yl]hydrazine
SMILESCCc1c(C)nc(Cc2cc(C)cc(C)c2)nc1NN
InChIInChI=1S/C16H22N4/c1-5-14-12(4)18-15(19-16(14)20-17)9-13-7-10(2)6-11(3)8-13/h6-8H,5,9,17H2,1-4H3,(H,18,19,20)
InChIKeyXQEURPKMFQBJHZ-UHFFFAOYSA-N
XLogP2.84
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-Phenyl-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9814965
2,4-Pyrimidinediamine, 6-hexyl-5-phenyl-
CID 9881905
6-Ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine
CID 11020649
6-Methyl-5-phenyl-2,4-pyrimidinediamine
CID 72565
6-Methyl-5-phenyl-2,4-pyrimidinediamine
CID 72565
5-(4-Tert-butylphenyl)-6-ethylpyrimidine-2,4-diamine
CID 10945514
5-(Aminomethyl)-6-(4-methylphenyl)-2-phenylpyrimidin-4-amine
CID 10171676
5-(Aminomethyl)-6-(4-methylphenyl)-2-phenylpyrimidin-4-amine
CID 10171676
4-Propyl-6-m-tolylpyrimidine-2-carbonitrile
CID 46881451
1-Phenylethanone (4-methyl-6-phenyl-2-pyrimidinyl)hydrazone
CID 5338865
2-(2,6-dimethyl-4-pyrimidinyl)-2-methyl-N-(4-methylphenyl)hydrazinecarbothioamide
CID 852687
4,6-dimethyl-2-{(2E)-2-[(3E)-4-phenylbut-3-en-2-ylidene]hydrazinyl}pyrimidine
CID 5424411

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methylpyrimidin-4-yl]hydrazine (CID 62594082) is [2-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methylpyrimidin-4-yl]hydrazine is CCc1c(C)nc(Cc2cc(C)cc(C)c2)nc1NN.
What is the InChIKey of [2-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methylpyrimidin-4-yl]hydrazine?
The InChIKey is XQEURPKMFQBJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-5-14-12(4)18-15(19-16(14)20-17)9-13-7-10(2)6-11(3)8-13/h6-8H,5,9,17H2,1-4H3,(H,18,19,20).
What are the key properties of [2-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methylpyrimidin-4-yl]hydrazine?
[2-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methylpyrimidin-4-yl]hydrazine has a molecular weight of 270.38 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62594082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).