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

C16H22N4 — CID 62594083

IUPAC[2-[(3,5-dimethylphenyl)methyl]-6-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1cc(NN)nc(Cc2cc(C)cc(C)c2)n1
InChIInChI=1S/C16H22N4/c1-4-5-14-10-16(20-17)19-15(18-14)9-13-7-11(2)6-12(3)8-13/h6-8,10H,4-5,9,17H2,1-3H3,(H,18,19,20)
InChIKeyHBGBHTBIFIEZNU-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.92
Rot. Bonds5

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

[2-[(3,5-dimethylphenyl)methyl]-6-propylpyrimidin-4-yl]hydrazine (PubChem CID 62594083) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is [2-[(3,5-dimethylphenyl)methyl]-6-propylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-[(3,5-dimethylphenyl)methyl]-6-propylpyrimidin-4-yl]hydrazine
PubChem CID62594083
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name[2-[(3,5-dimethylphenyl)methyl]-6-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1cc(NN)nc(Cc2cc(C)cc(C)c2)n1
InChIInChI=1S/C16H22N4/c1-4-5-14-10-16(20-17)19-15(18-14)9-13-7-11(2)6-12(3)8-13/h6-8,10H,4-5,9,17H2,1-3H3,(H,18,19,20)
InChIKeyHBGBHTBIFIEZNU-UHFFFAOYSA-N
XLogP2.92
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.92
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

2-[(3,5-dimethylphenyl)methyl]-6-ethyl-N-propylpyrimidin-4-amine
CID 63484694
2-[(4-methylphenyl)methyl]-N,6-dipropylpyrimidin-4-amine
CID 63485762
[2-(1H-benzimidazol-2-ylmethyl)-6-propylpyrimidin-4-yl]hydrazine
CID 63639636
2-benzyl-N-ethyl-6-propylpyrimidin-4-amine
CID 62192157
[2-(butan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-yl]hydrazine
CID 65141294
[2-(phenoxymethyl)-6-propylpyrimidin-4-yl]hydrazine
CID 62717068
[2-(phenylsulfanylmethyl)-6-propylpyrimidin-4-yl]hydrazine
CID 65143778
(2-butyl-6-ethylpyrimidin-4-yl)hydrazine
CID 79413062
[2-[(4-chlorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine
CID 66143033
[2-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methylpyrimidin-4-yl]hydrazine
CID 62594082
4-methyl-2,6-dipropylpyridine
CID 13400495
[2-[(2-bromophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine
CID 66145462

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dimethylphenyl)methyl]-6-propylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-[(3,5-dimethylphenyl)methyl]-6-propylpyrimidin-4-yl]hydrazine (CID 62594083) is [2-[(3,5-dimethylphenyl)methyl]-6-propylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-[(3,5-dimethylphenyl)methyl]-6-propylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-[(3,5-dimethylphenyl)methyl]-6-propylpyrimidin-4-yl]hydrazine is CCCc1cc(NN)nc(Cc2cc(C)cc(C)c2)n1.
What is the InChIKey of [2-[(3,5-dimethylphenyl)methyl]-6-propylpyrimidin-4-yl]hydrazine?
The InChIKey is HBGBHTBIFIEZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-4-5-14-10-16(20-17)19-15(18-14)9-13-7-11(2)6-12(3)8-13/h6-8,10H,4-5,9,17H2,1-3H3,(H,18,19,20).
What are the key properties of [2-[(3,5-dimethylphenyl)methyl]-6-propylpyrimidin-4-yl]hydrazine?
[2-[(3,5-dimethylphenyl)methyl]-6-propylpyrimidin-4-yl]hydrazine has a molecular weight of 270.38 g/mol, XLogP of 2.92, 5 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]-6-propylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62594083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).