[2-[(4-bromophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine

C15H19BrN4 — CID 62913700

IUPAC[2-[(4-bromophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCc1nc(Cc2ccc(Br)cc2)nc(NN)c1C(C)C
InChIInChI=1S/C15H19BrN4/c1-9(2)14-10(3)18-13(19-15(14)20-17)8-11-4-6-12(16)7-5-11/h4-7,9H,8,17H2,1-3H3,(H,18,19,20)
InChIKeyLJZUQFZEKHBCCR-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.55
Rot. Bonds4

About [2-[(4-bromophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine

[2-[(4-bromophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine (PubChem CID 62913700) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is [2-[(4-bromophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-[(4-bromophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine
PubChem CID62913700
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC Name[2-[(4-bromophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCc1nc(Cc2ccc(Br)cc2)nc(NN)c1C(C)C
InChIInChI=1S/C15H19BrN4/c1-9(2)14-10(3)18-13(19-15(14)20-17)8-11-4-6-12(16)7-5-11/h4-7,9H,8,17H2,1-3H3,(H,18,19,20)
InChIKeyLJZUQFZEKHBCCR-UHFFFAOYSA-N
XLogP3.55
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.55
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

[6-methyl-2-[(4-methylphenyl)methyl]-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 62915531
[6-methyl-5-propan-2-yl-2-(thiophen-2-ylmethyl)pyrimidin-4-yl]hydrazine
CID 62915896
[2-[(3-chloro-2-fluorophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 82790822
2-[(3,5-dimethylphenyl)methyl]-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
CID 63485085
[5-ethyl-6-methyl-2-[(4-methylphenyl)methyl]pyrimidin-4-yl]hydrazine
CID 55061478
2-[(4-bromophenyl)methyl]-5-fluoro-6-methylpyrimidin-4-amine
CID 66000765
[6-methyl-2,5-di(propan-2-yl)pyrimidin-4-yl]hydrazine
CID 62915894
[2-[(3,4-dimethylphenyl)methyl]-5,6-dimethylpyrimidin-4-yl]hydrazine
CID 55131052
2-[(3-bromophenyl)methyl]-4-chloro-6-methyl-5-propan-2-ylpyrimidine
CID 55185799
methyl 4-amino-2-[(4-bromophenyl)methyl]-6-methylpyrimidine-5-carboxylate
CID 116647511
[6-methyl-5-propan-2-yl-2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]hydrazine
CID 62915530
N-[[2-[(4-bromophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]methyl]propan-1-amine
CID 62745833

Frequently Asked Questions

What is the IUPAC name of [2-[(4-bromophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-[(4-bromophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine (CID 62913700) is [2-[(4-bromophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-[(4-bromophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-[(4-bromophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine is Cc1nc(Cc2ccc(Br)cc2)nc(NN)c1C(C)C.
What is the InChIKey of [2-[(4-bromophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine?
The InChIKey is LJZUQFZEKHBCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c1-9(2)14-10(3)18-13(19-15(14)20-17)8-11-4-6-12(16)7-5-11/h4-7,9H,8,17H2,1-3H3,(H,18,19,20).
What are the key properties of [2-[(4-bromophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine?
[2-[(4-bromophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine has a molecular weight of 335.25 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-bromophenyl)methyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62913700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).